(6S)-2-amino-3,6-dimethyl-6-(4-phenylthiophen-2-yl)-5H-pyrimidin-4-one

C16H17N3OS — CID 59386913

IUPAC(6S)-2-amino-3,6-dimethyl-6-(4-phenylthiophen-2-yl)-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2cc(-c3ccccc3)cs2)N=C1N
InChIInChI=1S/C16H17N3OS/c1-16(9-14(20)19(2)15(17)18-16)13-8-12(10-21-13)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H2,17,18)/t16-/m0/s1
InChIKeyOHVPIPOZQROTDI-INIZCTEOSA-N
MW299.40 g/mol
LogP2.81
Rot. Bonds2

About (6S)-2-amino-3,6-dimethyl-6-(4-phenylthiophen-2-yl)-5H-pyrimidin-4-one

(6S)-2-amino-3,6-dimethyl-6-(4-phenylthiophen-2-yl)-5H-pyrimidin-4-one (PubChem CID 59386913) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is (6S)-2-amino-3,6-dimethyl-6-(4-phenylthiophen-2-yl)-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-3,6-dimethyl-6-(4-phenylthiophen-2-yl)-5H-pyrimidin-4-one
PubChem CID59386913
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name(6S)-2-amino-3,6-dimethyl-6-(4-phenylthiophen-2-yl)-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2cc(-c3ccccc3)cs2)N=C1N
InChIInChI=1S/C16H17N3OS/c1-16(9-14(20)19(2)15(17)18-16)13-8-12(10-21-13)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H2,17,18)/t16-/m0/s1
InChIKeyOHVPIPOZQROTDI-INIZCTEOSA-N
XLogP2.81
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-3,6-dimethyl-6-(4-phenylthiophen-2-yl)-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-3,6-dimethyl-6-(4-phenylthiophen-2-yl)-5H-pyrimidin-4-one (CID 59386913) is (6S)-2-amino-3,6-dimethyl-6-(4-phenylthiophen-2-yl)-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-3,6-dimethyl-6-(4-phenylthiophen-2-yl)-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-3,6-dimethyl-6-(4-phenylthiophen-2-yl)-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2cc(-c3ccccc3)cs2)N=C1N.
What is the InChIKey of (6S)-2-amino-3,6-dimethyl-6-(4-phenylthiophen-2-yl)-5H-pyrimidin-4-one?
The InChIKey is OHVPIPOZQROTDI-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-16(9-14(20)19(2)15(17)18-16)13-8-12(10-21-13)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H2,17,18)/t16-/m0/s1.
What are the key properties of (6S)-2-amino-3,6-dimethyl-6-(4-phenylthiophen-2-yl)-5H-pyrimidin-4-one?
(6S)-2-amino-3,6-dimethyl-6-(4-phenylthiophen-2-yl)-5H-pyrimidin-4-one has a molecular weight of 299.40 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-3,6-dimethyl-6-(4-phenylthiophen-2-yl)-5H-pyrimidin-4-one is sourced from PubChem (CID 59386913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).