2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one

C10H16N4O — CID 136776183

IUPAC2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C10H16N4O/c1-7-2-4-14(5-3-7)8-6-9(15)13-10(11)12-8/h6-7H,2-5H2,1H3,(H3,11,12,13,15)
InChIKeyQMOOCAFZNAPOFV-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.59
Rot. Bonds1

About 2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one

2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136776183) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136776183
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C10H16N4O/c1-7-2-4-14(5-3-7)8-6-9(15)13-10(11)12-8/h6-7H,2-5H2,1H3,(H3,11,12,13,15)
InChIKeyQMOOCAFZNAPOFV-UHFFFAOYSA-N
XLogP0.59
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
CID 135933881
2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137008951
4-(4-methylazepan-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989987
6-[[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]amino]-2,4-dimethylpyridine-3-carbonitrile
CID 163311498
2-amino-4-[4-[1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136663625
2-amino-4-[4-[(2S)-1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 137048543
2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136988385
N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 136998422
2-amino-4-[4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-1H-pyrimidin-6-one;dihydrochloride
CID 154902433
2-amino-4-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136665275
tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate
CID 137310018
N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-ethoxypyridine-3-carboxamide
CID 136988419

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136776183) is 2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is CC1CCN(c2cc(=O)[nH]c(N)n2)CC1.
What is the InChIKey of 2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is QMOOCAFZNAPOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-2-4-14(5-3-7)8-6-9(15)13-10(11)12-8/h6-7H,2-5H2,1H3,(H3,11,12,13,15).
What are the key properties of 2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136776183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).