N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide

C15H18N6O3 — CID 175648871

IUPACN-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide
SMILESCn1c(=O)cc(N2CCC(NC(=O)c3ccncn3)CC2)[nH]c1=O
InChIInChI=1S/C15H18N6O3/c1-20-13(22)8-12(19-15(20)24)21-6-3-10(4-7-21)18-14(23)11-2-5-16-9-17-11/h2,5,8-10H,3-4,6-7H2,1H3,(H,18,23)(H,19,24)
InChIKeyCIDXXWAPVOLTGK-UHFFFAOYSA-N
MW330.35 g/mol
LogP-0.74
Rot. Bonds3

About N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide

N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide (PubChem CID 175648871) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide
PubChem CID175648871
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC NameN-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide
SMILESCn1c(=O)cc(N2CCC(NC(=O)c3ccncn3)CC2)[nH]c1=O
InChIInChI=1S/C15H18N6O3/c1-20-13(22)8-12(19-15(20)24)21-6-3-10(4-7-21)18-14(23)11-2-5-16-9-17-11/h2,5,8-10H,3-4,6-7H2,1H3,(H,18,23)(H,19,24)
InChIKeyCIDXXWAPVOLTGK-UHFFFAOYSA-N
XLogP-0.74
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide (CID 175648871) is N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide is Cn1c(=O)cc(N2CCC(NC(=O)c3ccncn3)CC2)[nH]c1=O.
What is the InChIKey of N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide?
The InChIKey is CIDXXWAPVOLTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-20-13(22)8-12(19-15(20)24)21-6-3-10(4-7-21)18-14(23)11-2-5-16-9-17-11/h2,5,8-10H,3-4,6-7H2,1H3,(H,18,23)(H,19,24).
What are the key properties of N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide?
N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide has a molecular weight of 330.35 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 175648871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).