(6S)-2-amino-3,6-dimethyl-6-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one

C16H18N4O2 — CID 69091188

IUPAC(6S)-2-amino-3,6-dimethyl-6-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one
SMILESCc1cccc(-c2cc([C@]3(C)CC(=O)N(C)C(N)=N3)no2)c1
InChIInChI=1S/C16H18N4O2/c1-10-5-4-6-11(7-10)12-8-13(19-22-12)16(2)9-14(21)20(3)15(17)18-16/h4-8H,9H2,1-3H3,(H2,17,18)/t16-/m0/s1
InChIKeyXTDYVKQLIQYYON-INIZCTEOSA-N
MW298.35 g/mol
LogP2.04
Rot. Bonds2

About (6S)-2-amino-3,6-dimethyl-6-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one

(6S)-2-amino-3,6-dimethyl-6-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one (PubChem CID 69091188) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (6S)-2-amino-3,6-dimethyl-6-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-3,6-dimethyl-6-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one
PubChem CID69091188
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(6S)-2-amino-3,6-dimethyl-6-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one
SMILESCc1cccc(-c2cc([C@]3(C)CC(=O)N(C)C(N)=N3)no2)c1
InChIInChI=1S/C16H18N4O2/c1-10-5-4-6-11(7-10)12-8-13(19-22-12)16(2)9-14(21)20(3)15(17)18-16/h4-8H,9H2,1-3H3,(H2,17,18)/t16-/m0/s1
InChIKeyXTDYVKQLIQYYON-INIZCTEOSA-N
XLogP2.04
TPSA84.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-2-amino-3,6-dimethyl-6-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one with MolForge

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Related Compounds

(6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 89248111
CID 89085478
CID 89085478
(6S)-2-amino-6-[4-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59025371
(6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 67966792
(6S)-2-amino-3,6-dimethyl-6-[3-(3-pyrrolidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one
CID 59388911
2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 23731035
2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11594966
(6S)-2-amino-3,6-dimethyl-6-[4-(3-pyrrolidin-1-ylphenyl)thiophen-2-yl]-5H-pyrimidin-4-one
CID 59388149
(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387253
(6S)-2-amino-6-[3-(2-chloro-4-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388821
(6S)-2-amino-3,6-dimethyl-6-[4-(3-piperidin-1-ylphenyl)thiophen-2-yl]-5H-pyrimidin-4-one
CID 70128445
(6S)-2-amino-6-[4-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59262406

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-3,6-dimethyl-6-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-3,6-dimethyl-6-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one (CID 69091188) is (6S)-2-amino-3,6-dimethyl-6-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-3,6-dimethyl-6-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-3,6-dimethyl-6-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one is Cc1cccc(-c2cc([C@]3(C)CC(=O)N(C)C(N)=N3)no2)c1.
What is the InChIKey of (6S)-2-amino-3,6-dimethyl-6-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one?
The InChIKey is XTDYVKQLIQYYON-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-5-4-6-11(7-10)12-8-13(19-22-12)16(2)9-14(21)20(3)15(17)18-16/h4-8H,9H2,1-3H3,(H2,17,18)/t16-/m0/s1.
What are the key properties of (6S)-2-amino-3,6-dimethyl-6-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one?
(6S)-2-amino-3,6-dimethyl-6-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one has a molecular weight of 298.35 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-3,6-dimethyl-6-[5-(3-methylphenyl)-1,2-oxazol-3-yl]-5H-pyrimidin-4-one is sourced from PubChem (CID 69091188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).