4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one

C13H22N4O — CID 136977753

IUPAC4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2CCNCC2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-9(2)13-16-11(7-12(18)17-13)15-8-10-3-5-14-6-4-10/h7,9-10,14H,3-6,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyXQDQQGYVSXVMED-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.30
Rot. Bonds4

About 4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one

4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136977753) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136977753
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2CCNCC2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-9(2)13-16-11(7-12(18)17-13)15-8-10-3-5-14-6-4-10/h7,9-10,14H,3-6,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyXQDQQGYVSXVMED-UHFFFAOYSA-N
XLogP1.30
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974289
4-[(1-methylpyrrolidin-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974125
4-[(1,1-dioxothiolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974464
4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976147
4-[(2-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136998916
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975670
4-(2-cyclohexylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974200
4-[(2-methyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136905786
4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989480
2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 94076556
4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136820290
2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 95928666

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136977753) is 4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCC2CCNCC2)cc(=O)[nH]1.
What is the InChIKey of 4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is XQDQQGYVSXVMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)13-16-11(7-12(18)17-13)15-8-10-3-5-14-6-4-10/h7,9-10,14H,3-6,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136977753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).