1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-5-carboxamide

C17H26N4O3 — CID 91771412

IUPAC1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCC2(N3CCCC3)CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H26N4O3/c1-20-11-13(15(23)19-16(20)24)14(22)18-12-17(7-3-2-4-8-17)21-9-5-6-10-21/h11H,2-10,12H2,1H3,(H,18,22)(H,19,23,24)
InChIKeySKVFFGPQBKWYDK-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.60
Rot. Bonds4

About 1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-5-carboxamide

1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-5-carboxamide (PubChem CID 91771412) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-5-carboxamide
PubChem CID91771412
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCC2(N3CCCC3)CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H26N4O3/c1-20-11-13(15(23)19-16(20)24)14(22)18-12-17(7-3-2-4-8-17)21-9-5-6-10-21/h11H,2-10,12H2,1H3,(H,18,22)(H,19,23,24)
InChIKeySKVFFGPQBKWYDK-UHFFFAOYSA-N
XLogP0.60
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Dimethyl-5-(4-oxo-3-propyl-1,3-diazaspiro[4.5]decan-2-yl)pyrimidine-2,4-dione
CID 72137973
N-{(3R*,4S*)-4-cyclopropyl-1-[(diethylamino)carbonyl]pyrrolidin-3-yl}-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 72882371
5-[[[1-(3-aminopropyl)-4-tert-butylpyrrolidin-2-yl]methylamino]methyl]-1H-pyrimidine-2,4-dione
CID 132234546
1-[(3R,5S)-1-[(2S)-3-amino-2-methylpropyl]-5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]pyrrolidin-3-yl]-3-(2-methylbutan-2-yl)urea
CID 146212759
3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 175771449
5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodec-11-yl)carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 56749235
N-methyl-2,4-dioxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 56896504
5-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 60978418
1,3-Dimethyl-5-[[(1-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione
CID 61873371
5-(2-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 63256462
5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 63259684
N-[1-(aminomethyl)cyclopentyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 63887984

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-5-carboxamide (CID 91771412) is 1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-5-carboxamide is Cn1cc(C(=O)NCC2(N3CCCC3)CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is SKVFFGPQBKWYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-20-11-13(15(23)19-16(20)24)14(22)18-12-17(7-3-2-4-8-17)21-9-5-6-10-21/h11H,2-10,12H2,1H3,(H,18,22)(H,19,23,24).
What are the key properties of 1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-5-carboxamide?
1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 91771412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).