(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(3-fluoro-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one

C24H23FN4OS — CID 59388109

IUPAC(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(3-fluoro-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C(c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3ncccc3F)cs2)N=C1N
InChIInChI=1S/C24H23FN4OS/c1-24(19-12-17(13-31-19)21-18(25)4-3-11-27-21)20(22(30)29(2)23(26)28-24)16-9-7-15(8-10-16)14-5-6-14/h3-4,7-14,20H,5-6H2,1-2H3,(H2,26,28)/t20?,24-/m1/s1
InChIKeyBKYVOQXAKRAMRC-PIFIWZBESA-N
MW434.54 g/mol
LogP4.61
Rot. Bonds4

About (6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(3-fluoro-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(3-fluoro-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59388109) has the molecular formula C24H23FN4OS and a molecular weight of 434.54 g/mol. Its IUPAC name is (6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(3-fluoro-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(3-fluoro-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59388109
Molecular FormulaC24H23FN4OS
Molecular Weight434.54 g/mol
Exact Mass434.16
IUPAC Name(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(3-fluoro-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C(c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3ncccc3F)cs2)N=C1N
InChIInChI=1S/C24H23FN4OS/c1-24(19-12-17(13-31-19)21-18(25)4-3-11-27-21)20(22(30)29(2)23(26)28-24)16-9-7-15(8-10-16)14-5-6-14/h3-4,7-14,20H,5-6H2,1-2H3,(H2,26,28)/t20?,24-/m1/s1
InChIKeyBKYVOQXAKRAMRC-PIFIWZBESA-N
XLogP4.61
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(3-fluoro-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(3-fluoro-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 59388109) is (6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(3-fluoro-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(3-fluoro-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(3-fluoro-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C(c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3ncccc3F)cs2)N=C1N.
What is the InChIKey of (6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(3-fluoro-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is BKYVOQXAKRAMRC-PIFIWZBESA-N. The full InChI is InChI=1S/C24H23FN4OS/c1-24(19-12-17(13-31-19)21-18(25)4-3-11-27-21)20(22(30)29(2)23(26)28-24)16-9-7-15(8-10-16)14-5-6-14/h3-4,7-14,20H,5-6H2,1-2H3,(H2,26,28)/t20?,24-/m1/s1.
What are the key properties of (6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(3-fluoro-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(3-fluoro-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 434.54 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-5-(4-cyclopropylphenyl)-6-[4-(3-fluoro-2-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59388109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).