2-(methylamino)-N-(4-methylpiperidin-4-yl)pyrimidine-5-carboxamide

C12H19N5O — CID 122562225

IUPAC2-(methylamino)-N-(4-methylpiperidin-4-yl)pyrimidine-5-carboxamide
SMILESCNc1ncc(C(=O)NC2(C)CCNCC2)cn1
InChIInChI=1S/C12H19N5O/c1-12(3-5-14-6-4-12)17-10(18)9-7-15-11(13-2)16-8-9/h7-8,14H,3-6H2,1-2H3,(H,17,18)(H,13,15,16)
InChIKeyVDQOYTQXBOMWEC-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.39
Rot. Bonds3

About 2-(methylamino)-N-(4-methylpiperidin-4-yl)pyrimidine-5-carboxamide

2-(methylamino)-N-(4-methylpiperidin-4-yl)pyrimidine-5-carboxamide (PubChem CID 122562225) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(methylamino)-N-(4-methylpiperidin-4-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-(4-methylpiperidin-4-yl)pyrimidine-5-carboxamide
PubChem CID122562225
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-(methylamino)-N-(4-methylpiperidin-4-yl)pyrimidine-5-carboxamide
SMILESCNc1ncc(C(=O)NC2(C)CCNCC2)cn1
InChIInChI=1S/C12H19N5O/c1-12(3-5-14-6-4-12)17-10(18)9-7-15-11(13-2)16-8-9/h7-8,14H,3-6H2,1-2H3,(H,17,18)(H,13,15,16)
InChIKeyVDQOYTQXBOMWEC-UHFFFAOYSA-N
XLogP0.39
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(4-methylpiperidin-4-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(methylamino)-N-(4-methylpiperidin-4-yl)pyrimidine-5-carboxamide (CID 122562225) is 2-(methylamino)-N-(4-methylpiperidin-4-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-(4-methylpiperidin-4-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(methylamino)-N-(4-methylpiperidin-4-yl)pyrimidine-5-carboxamide is CNc1ncc(C(=O)NC2(C)CCNCC2)cn1.
What is the InChIKey of 2-(methylamino)-N-(4-methylpiperidin-4-yl)pyrimidine-5-carboxamide?
The InChIKey is VDQOYTQXBOMWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-12(3-5-14-6-4-12)17-10(18)9-7-15-11(13-2)16-8-9/h7-8,14H,3-6H2,1-2H3,(H,17,18)(H,13,15,16).
What are the key properties of 2-(methylamino)-N-(4-methylpiperidin-4-yl)pyrimidine-5-carboxamide?
2-(methylamino)-N-(4-methylpiperidin-4-yl)pyrimidine-5-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(4-methylpiperidin-4-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 122562225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).