2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide

C17H26N4O3 — CID 56711486

IUPAC2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C17H26N4O3/c22-14-11-13(19-16(24)20-14)15(23)18-12-17(7-3-1-4-8-17)21-9-5-2-6-10-21/h11H,1-10,12H2,(H,18,23)(H2,19,20,22,24)
InChIKeyTUYDNOXPFMIPRF-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.98
Rot. Bonds4

About 2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide

2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide (PubChem CID 56711486) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide
PubChem CID56711486
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C17H26N4O3/c22-14-11-13(19-16(24)20-14)15(23)18-12-17(7-3-1-4-8-17)21-9-5-2-6-10-21/h11H,1-10,12H2,(H,18,23)(H2,19,20,22,24)
InChIKeyTUYDNOXPFMIPRF-UHFFFAOYSA-N
XLogP0.98
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide (CID 56711486) is 2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide is O=C(NCC1(N2CCCCC2)CCCCC1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide?
The InChIKey is TUYDNOXPFMIPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c22-14-11-13(19-16(24)20-14)15(23)18-12-17(7-3-1-4-8-17)21-9-5-2-6-10-21/h11H,1-10,12H2,(H,18,23)(H2,19,20,22,24).
What are the key properties of 2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide?
2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 56711486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).