2-amino-4-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one

C10H17N5O — CID 136817925

IUPAC2-amino-4-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
SMILESCN(Cc1cc(=O)[nH]c(N)n1)[C@H]1CCNC1
InChIInChI=1S/C10H17N5O/c1-15(8-2-3-12-5-8)6-7-4-9(16)14-10(11)13-7/h4,8,12H,2-3,5-6H2,1H3,(H3,11,13,14,16)/t8-/m0/s1
InChIKeyPOULFQJRPCFIOU-QMMMGPOBSA-N
MW223.28 g/mol
LogP-0.85
Rot. Bonds3

About 2-amino-4-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one

2-amino-4-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one (PubChem CID 136817925) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-amino-4-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
PubChem CID136817925
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-amino-4-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
SMILESCN(Cc1cc(=O)[nH]c(N)n1)[C@H]1CCNC1
InChIInChI=1S/C10H17N5O/c1-15(8-2-3-12-5-8)6-7-4-9(16)14-10(11)13-7/h4,8,12H,2-3,5-6H2,1H3,(H3,11,13,14,16)/t8-/m0/s1
InChIKeyPOULFQJRPCFIOU-QMMMGPOBSA-N
XLogP-0.85
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride
CID 137049928
4-[(3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]pyrrolidin-1-yl]benzonitrile
CID 137201191
2-amino-4-[[methyl-[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
CID 137179511
2-amino-4-[[[(3R)-1-(2-cyclohexyloxyacetyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one
CID 137179542
2-amino-4-[[methyl-[(3R)-1-(5-propan-2-ylthiophene-2-carbonyl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
CID 137242343
2-amino-4-[[methyl-[1-(5-propan-2-ylthiophene-2-carbonyl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
CID 137216366
(3S)-N-methyl-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71641762
N-methyl-N-(quinolin-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 119923035
2-amino-4-[[[1-(3-ethylsulfanylpyrazine-2-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one
CID 139011211
N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 63297902
N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 64772048
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one (CID 136817925) is 2-amino-4-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one is CN(Cc1cc(=O)[nH]c(N)n1)[C@H]1CCNC1.
What is the InChIKey of 2-amino-4-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one?
The InChIKey is POULFQJRPCFIOU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15(8-2-3-12-5-8)6-7-4-9(16)14-10(11)13-7/h4,8,12H,2-3,5-6H2,1H3,(H3,11,13,14,16)/t8-/m0/s1.
What are the key properties of 2-amino-4-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one?
2-amino-4-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136817925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).