N-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

C30H36N4O3 — CID 168919235

IUPACN-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccc3c(c2)CCC3)c2cc(C3CC3CCC3CC(=O)NC(N)=N3)ccc2O1
InChIInChI=1S/C30H36N4O3/c1-30(2)16-25(33-28(36)21-7-6-17-4-3-5-18(17)12-21)24-14-20(9-11-26(24)37-30)23-13-19(23)8-10-22-15-27(35)34-29(31)32-22/h6-7,9,11-12,14,19,22-23,25H,3-5,8,10,13,15-16H2,1-2H3,(H,33,36)(H3,31,32,34,35)
InChIKeyCHXMNRPOTWBJOH-UHFFFAOYSA-N
MW500.64 g/mol
LogP4.29
Rot. Bonds6

About N-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

N-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 168919235) has the molecular formula C30H36N4O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is N-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID168919235
Molecular FormulaC30H36N4O3
Molecular Weight500.64 g/mol
Exact Mass500.28
IUPAC NameN-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccc3c(c2)CCC3)c2cc(C3CC3CCC3CC(=O)NC(N)=N3)ccc2O1
InChIInChI=1S/C30H36N4O3/c1-30(2)16-25(33-28(36)21-7-6-17-4-3-5-18(17)12-21)24-14-20(9-11-26(24)37-30)23-13-19(23)8-10-22-15-27(35)34-29(31)32-22/h6-7,9,11-12,14,19,22-23,25H,3-5,8,10,13,15-16H2,1-2H3,(H,33,36)(H3,31,32,34,35)
InChIKeyCHXMNRPOTWBJOH-UHFFFAOYSA-N
XLogP4.29
TPSA105.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.64
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide with MolForge

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Related Compounds

N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol
CID 168919178
N-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane
CID 168919427
N-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide
CID 168918979
N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-1,1-dimethyl-3,4-dihydroisochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 168919381
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 77097764
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 99589244
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100610173
N-(2-aminocyclopropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43593856
2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one
CID 168919360
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3,4-diethoxybenzamide
CID 100535222
N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
CID 133231370
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100761977

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (CID 168919235) is N-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is CC1(C)CC(NC(=O)c2ccc3c(c2)CCC3)c2cc(C3CC3CCC3CC(=O)NC(N)=N3)ccc2O1.
What is the InChIKey of N-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is CHXMNRPOTWBJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O3/c1-30(2)16-25(33-28(36)21-7-6-17-4-3-5-18(17)12-21)24-14-20(9-11-26(24)37-30)23-13-19(23)8-10-22-15-27(35)34-29(31)32-22/h6-7,9,11-12,14,19,22-23,25H,3-5,8,10,13,15-16H2,1-2H3,(H,33,36)(H3,31,32,34,35).
What are the key properties of N-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 500.64 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 168919235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).