4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one

C16H25N5O — CID 126889501

IUPAC4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one
SMILESCc1cc(N(C)C2CCN(CC3CNC(=O)C3)CC2)ncn1
InChIInChI=1S/C16H25N5O/c1-12-7-15(19-11-18-12)20(2)14-3-5-21(6-4-14)10-13-8-16(22)17-9-13/h7,11,13-14H,3-6,8-10H2,1-2H3,(H,17,22)
InChIKeyLDXCUVYNHBNOQF-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.82
Rot. Bonds4

About 4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one

4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 126889501) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one
PubChem CID126889501
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one
SMILESCc1cc(N(C)C2CCN(CC3CNC(=O)C3)CC2)ncn1
InChIInChI=1S/C16H25N5O/c1-12-7-15(19-11-18-12)20(2)14-3-5-21(6-4-14)10-13-8-16(22)17-9-13/h7,11,13-14H,3-6,8-10H2,1-2H3,(H,17,22)
InChIKeyLDXCUVYNHBNOQF-UHFFFAOYSA-N
XLogP0.82
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,6-dimethyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889406
N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889453
N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889416
N,6-dimethyl-N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889450
N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126889332
5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126890686
N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889315
N-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 126889359
N,6-dimethyl-N-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995115
N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995113
isoquinolin-1-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889202
6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126889556

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one (CID 126889501) is 4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one is Cc1cc(N(C)C2CCN(CC3CNC(=O)C3)CC2)ncn1.
What is the InChIKey of 4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is LDXCUVYNHBNOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-12-7-15(19-11-18-12)20(2)14-3-5-21(6-4-14)10-13-8-16(22)17-9-13/h7,11,13-14H,3-6,8-10H2,1-2H3,(H,17,22).
What are the key properties of 4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one?
4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 303.41 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 126889501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).