(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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Related Compounds

(4-aminopiperidin-1-yl)-[5-methyl-6-[[(2S,6R)-6-[4-(trifluoromethoxy)phenyl]oxan-2-yl]methylamino]pyrimidin-4-yl]methanone
CID 139546882
2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 80806727
(4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone
CID 119373769
1-[1-[6-[2-(3,4-dichlorophenyl)ethylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 77453664
[4-[(3-fluorooxan-4-yl)methyl]piperidin-1-yl]-[5-methyl-6-[[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidin-4-yl]methanone
CID 122678069
N-[1-[1-(6-chloro-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 58035340
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
N-[1-[1-[6-[(3,4-dichlorocyclohexa-2,4-dien-1-yl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylacetamide
CID 70883222
[6-(3,4-dichloroanilino)-5-methylpyrimidin-4-yl]-[4-(5-methylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)piperidin-1-yl]methanone
CID 71502932
(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 62829888
6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
CID 80803944
(4-aminopiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199009

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).