N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide

C18H21N3O3 — CID 135665164

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(C)c(CCC(=O)NC2CCOc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C18H21N3O3/c1-11-13(18(23)20-12(2)19-11)7-8-17(22)21-15-9-10-24-16-6-4-3-5-14(15)16/h3-6,15H,7-10H2,1-2H3,(H,21,22)(H,19,20,23)
InChIKeyOBCIGHDYONBCDL-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.96
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide

N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 135665164) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID135665164
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(C)c(CCC(=O)NC2CCOc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C18H21N3O3/c1-11-13(18(23)20-12(2)19-11)7-8-17(22)21-15-9-10-24-16-6-4-3-5-14(15)16/h3-6,15H,7-10H2,1-2H3,(H,21,22)(H,19,20,23)
InChIKeyOBCIGHDYONBCDL-UHFFFAOYSA-N
XLogP1.96
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
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N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
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N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135739396
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
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N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
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N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9159591
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanamide
CID 95305113
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 135665164) is N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide is Cc1nc(C)c(CCC(=O)NC2CCOc3ccccc32)c(=O)[nH]1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is OBCIGHDYONBCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11-13(18(23)20-12(2)19-11)7-8-17(22)21-15-9-10-24-16-6-4-3-5-14(15)16/h3-6,15H,7-10H2,1-2H3,(H,21,22)(H,19,20,23).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 327.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 135665164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).