(4-aminopiperidin-1-yl)-[5-methyl-6-(methylamino)pyrimidin-4-yl]methanone

C12H19N5O — CID 134408091

IUPAC(4-aminopiperidin-1-yl)-[5-methyl-6-(methylamino)pyrimidin-4-yl]methanone
SMILESCNc1ncnc(C(=O)N2CCC(N)CC2)c1C
InChIInChI=1S/C12H19N5O/c1-8-10(15-7-16-11(8)14-2)12(18)17-5-3-9(13)4-6-17/h7,9H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyVKDGDCDNHODWHC-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.39
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[5-methyl-6-(methylamino)pyrimidin-4-yl]methanone

(4-aminopiperidin-1-yl)-[5-methyl-6-(methylamino)pyrimidin-4-yl]methanone (PubChem CID 134408091) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[5-methyl-6-(methylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[5-methyl-6-(methylamino)pyrimidin-4-yl]methanone
PubChem CID134408091
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(4-aminopiperidin-1-yl)-[5-methyl-6-(methylamino)pyrimidin-4-yl]methanone
SMILESCNc1ncnc(C(=O)N2CCC(N)CC2)c1C
InChIInChI=1S/C12H19N5O/c1-8-10(15-7-16-11(8)14-2)12(18)17-5-3-9(13)4-6-17/h7,9H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyVKDGDCDNHODWHC-UHFFFAOYSA-N
XLogP0.39
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[5-methyl-6-(methylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[5-methyl-6-(methylamino)pyrimidin-4-yl]methanone (CID 134408091) is (4-aminopiperidin-1-yl)-[5-methyl-6-(methylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[5-methyl-6-(methylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[5-methyl-6-(methylamino)pyrimidin-4-yl]methanone is CNc1ncnc(C(=O)N2CCC(N)CC2)c1C.
What is the InChIKey of (4-aminopiperidin-1-yl)-[5-methyl-6-(methylamino)pyrimidin-4-yl]methanone?
The InChIKey is VKDGDCDNHODWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8-10(15-7-16-11(8)14-2)12(18)17-5-3-9(13)4-6-17/h7,9H,3-6,13H2,1-2H3,(H,14,15,16).
What are the key properties of (4-aminopiperidin-1-yl)-[5-methyl-6-(methylamino)pyrimidin-4-yl]methanone?
(4-aminopiperidin-1-yl)-[5-methyl-6-(methylamino)pyrimidin-4-yl]methanone has a molecular weight of 249.32 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[5-methyl-6-(methylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 134408091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).