(6R)-2-amino-3-[cyclopropyl(pyridin-3-yl)methyl]-6-ethyl-6-methyl-5H-pyrimidin-4-one;methanamine

C17H27N5O — CID 156742966

IUPAC(6R)-2-amino-3-[cyclopropyl(pyridin-3-yl)methyl]-6-ethyl-6-methyl-5H-pyrimidin-4-one;methanamine
SMILESCC[C@]1(C)CC(=O)N(C(c2cccnc2)C2CC2)C(N)=N1.CN
InChIInChI=1S/C16H22N4O.CH5N/c1-3-16(2)9-13(21)20(15(17)19-16)14(11-6-7-11)12-5-4-8-18-10-12;1-2/h4-5,8,10-11,14H,3,6-7,9H2,1-2H3,(H2,17,19);2H2,1H3/t14?,16-;/m1./s1
InChIKeyLHHBDWIQCMKXDH-BXWZNKKMSA-N
MW317.44 g/mol
LogP1.82
Rot. Bonds4

About (6R)-2-amino-3-[cyclopropyl(pyridin-3-yl)methyl]-6-ethyl-6-methyl-5H-pyrimidin-4-one;methanamine

(6R)-2-amino-3-[cyclopropyl(pyridin-3-yl)methyl]-6-ethyl-6-methyl-5H-pyrimidin-4-one;methanamine (PubChem CID 156742966) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is (6R)-2-amino-3-[cyclopropyl(pyridin-3-yl)methyl]-6-ethyl-6-methyl-5H-pyrimidin-4-one;methanamine.

Molecular Properties

Compound Name(6R)-2-amino-3-[cyclopropyl(pyridin-3-yl)methyl]-6-ethyl-6-methyl-5H-pyrimidin-4-one;methanamine
PubChem CID156742966
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name(6R)-2-amino-3-[cyclopropyl(pyridin-3-yl)methyl]-6-ethyl-6-methyl-5H-pyrimidin-4-one;methanamine
SMILESCC[C@]1(C)CC(=O)N(C(c2cccnc2)C2CC2)C(N)=N1.CN
InChIInChI=1S/C16H22N4O.CH5N/c1-3-16(2)9-13(21)20(15(17)19-16)14(11-6-7-11)12-5-4-8-18-10-12;1-2/h4-5,8,10-11,14H,3,6-7,9H2,1-2H3,(H2,17,19);2H2,1H3/t14?,16-;/m1./s1
InChIKeyLHHBDWIQCMKXDH-BXWZNKKMSA-N
XLogP1.82
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2e,5r)-5-Cyclopropyl-2-Imino-3-Methyl-5-{3-[5-(Prop-1-Yn-1-Yl)pyridin-3-Yl]phenyl}imidazolidin-4-One
CID 57404339
(2e,5r)-2-Imino-3-Methyl-5-Phenyl-5-[3-(Pyridin-3-Yl)phenyl]imidazolidin-4-One
CID 70685236
3-Methyl-2-(2-phenylethylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 9882994
(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one
CID 11185491
2-Amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 11359820
2-Amino-5-cyclopropyl-5-[3-(5-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 11609507
2-[5-Aminopentyl(2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595656
2-(2-Cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595681
2-[4-Aminobutyl(2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595683
2-Amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 59262423
2-Amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one
CID 59262510
2-Amino-3-cyclohexyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 76332087

Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-3-[cyclopropyl(pyridin-3-yl)methyl]-6-ethyl-6-methyl-5H-pyrimidin-4-one;methanamine?
The IUPAC name of (6R)-2-amino-3-[cyclopropyl(pyridin-3-yl)methyl]-6-ethyl-6-methyl-5H-pyrimidin-4-one;methanamine (CID 156742966) is (6R)-2-amino-3-[cyclopropyl(pyridin-3-yl)methyl]-6-ethyl-6-methyl-5H-pyrimidin-4-one;methanamine.
What is the SMILES notation for (6R)-2-amino-3-[cyclopropyl(pyridin-3-yl)methyl]-6-ethyl-6-methyl-5H-pyrimidin-4-one;methanamine?
The canonical SMILES for (6R)-2-amino-3-[cyclopropyl(pyridin-3-yl)methyl]-6-ethyl-6-methyl-5H-pyrimidin-4-one;methanamine is CC[C@]1(C)CC(=O)N(C(c2cccnc2)C2CC2)C(N)=N1.CN.
What is the InChIKey of (6R)-2-amino-3-[cyclopropyl(pyridin-3-yl)methyl]-6-ethyl-6-methyl-5H-pyrimidin-4-one;methanamine?
The InChIKey is LHHBDWIQCMKXDH-BXWZNKKMSA-N. The full InChI is InChI=1S/C16H22N4O.CH5N/c1-3-16(2)9-13(21)20(15(17)19-16)14(11-6-7-11)12-5-4-8-18-10-12;1-2/h4-5,8,10-11,14H,3,6-7,9H2,1-2H3,(H2,17,19);2H2,1H3/t14?,16-;/m1./s1.
What are the key properties of (6R)-2-amino-3-[cyclopropyl(pyridin-3-yl)methyl]-6-ethyl-6-methyl-5H-pyrimidin-4-one;methanamine?
(6R)-2-amino-3-[cyclopropyl(pyridin-3-yl)methyl]-6-ethyl-6-methyl-5H-pyrimidin-4-one;methanamine has a molecular weight of 317.44 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-3-[cyclopropyl(pyridin-3-yl)methyl]-6-ethyl-6-methyl-5H-pyrimidin-4-one;methanamine is sourced from PubChem (CID 156742966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).