2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one

C11H18N4O — CID 136882938

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC[C@@H](N)C2)[nH]c(=O)c1C
InChIInChI=1S/C11H18N4O/c1-7-8(2)13-11(14-10(7)16)15-5-3-4-9(12)6-15/h9H,3-6,12H2,1-2H3,(H,13,14,16)/t9-/m1/s1
InChIKeyVPNTYONSMGRGIG-SECBINFHSA-N
MW222.29 g/mol
LogP0.31
Rot. Bonds1

About 2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 136882938) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID136882938
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC[C@@H](N)C2)[nH]c(=O)c1C
InChIInChI=1S/C11H18N4O/c1-7-8(2)13-11(14-10(7)16)15-5-3-4-9(12)6-15/h9H,3-6,12H2,1-2H3,(H,13,14,16)/t9-/m1/s1
InChIKeyVPNTYONSMGRGIG-SECBINFHSA-N
XLogP0.31
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Aminopiperidin-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137154967
2-(4-Methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 135621818
9-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-ylamino)-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one
CID 145301937
2-(4-ethylpiperazin-1-yl)-6-methyl-5-propylpyrimidin-4(3H)-one
CID 135644657
5,6-dimethyl-2-(1-piperidinyl)-4(3H)-pyrimidinone
CID 135500945
5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136197491
1-cyclohexyl-3-(2-(4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)ethyl)urea
CID 71795201
6-methyl-2-(4-methylpiperazino)-5-propyl-4(3H)-pyrimidinone
CID 135491339
4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide
CID 135515951
5-ethyl-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135644656
N-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide
CID 135674466
5-Ethyl-6-methyl-2-piperazin-1-yl-pyrimidin-4-ol
CID 136103247

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 136882938) is 2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(N2CCC[C@@H](N)C2)[nH]c(=O)c1C.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is VPNTYONSMGRGIG-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-8(2)13-11(14-10(7)16)15-5-3-4-9(12)6-15/h9H,3-6,12H2,1-2H3,(H,13,14,16)/t9-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136882938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).