tert-butyl N-[2-(2-cyclohexyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate

C20H32N4O3 — CID 135865880

IUPACtert-butyl N-[2-(2-cyclohexyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCc2c(nc(C3CCCCC3)[nH]c2=O)C1
InChIInChI=1S/C20H32N4O3/c1-20(2,3)27-19(26)21-10-12-24-11-9-15-16(13-24)22-17(23-18(15)25)14-7-5-4-6-8-14/h14H,4-13H2,1-3H3,(H,21,26)(H,22,23,25)
InChIKeyXZAIJUIPTONBGW-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.70
Rot. Bonds4

About tert-butyl N-[2-(2-cyclohexyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate

tert-butyl N-[2-(2-cyclohexyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate (PubChem CID 135865880) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is tert-butyl N-[2-(2-cyclohexyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-cyclohexyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate
PubChem CID135865880
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Nametert-butyl N-[2-(2-cyclohexyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCc2c(nc(C3CCCCC3)[nH]c2=O)C1
InChIInChI=1S/C20H32N4O3/c1-20(2,3)27-19(26)21-10-12-24-11-9-15-16(13-24)22-17(23-18(15)25)14-7-5-4-6-8-14/h14H,4-13H2,1-3H3,(H,21,26)(H,22,23,25)
InChIKeyXZAIJUIPTONBGW-UHFFFAOYSA-N
XLogP2.70
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)cyclohexyl]azetidin-3-yl]carbamate
CID 136102109
tert-butyl (1S,9S)-4,10-dimethyl-6-oxo-3,5,13-triazatricyclo[7.3.1.02,7]trideca-2(7),3-diene-13-carboxylate
CID 137250376
tert-butyl (1R,9R,10S)-4,10-dimethyl-6-oxo-3,5,13-triazatricyclo[7.3.1.02,7]trideca-2(7),3-diene-13-carboxylate
CID 137250378
tert-butyl (1R,10S)-4,10-dimethyl-6-oxo-3,5,13-triazatricyclo[7.3.1.02,7]trideca-2(7),3-diene-13-carboxylate
CID 137250379
7-(Cyclohexylmethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865774
7-(Cyclohexylmethyl)-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865785
tert-butyl N-[2-(4-oxo-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate
CID 135865873
tert-butyl N-[2-(2-cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate
CID 135865877
tert-butyl N-[2-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate
CID 135865883
tert-butyl N-[2-(4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate
CID 135865884
tert-butyl N-[2-(2-tert-butyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate
CID 135865885
tert-butyl N-[2-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate
CID 135865890

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-cyclohexyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-cyclohexyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate (CID 135865880) is tert-butyl N-[2-(2-cyclohexyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-cyclohexyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-cyclohexyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CCc2c(nc(C3CCCCC3)[nH]c2=O)C1.
What is the InChIKey of tert-butyl N-[2-(2-cyclohexyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate?
The InChIKey is XZAIJUIPTONBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-20(2,3)27-19(26)21-10-12-24-11-9-15-16(13-24)22-17(23-18(15)25)14-7-5-4-6-8-14/h14H,4-13H2,1-3H3,(H,21,26)(H,22,23,25).
What are the key properties of tert-butyl N-[2-(2-cyclohexyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate?
tert-butyl N-[2-(2-cyclohexyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate has a molecular weight of 376.50 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-cyclohexyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate is sourced from PubChem (CID 135865880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).