(5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one

C18H20N4OS — CID 59389064

IUPAC(5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one
SMILESCN1C(=O)[C@H](C2CC2)[C@@](C)(c2cc(-c3ccncc3)cs2)N=C1N
InChIInChI=1S/C18H20N4OS/c1-18(14-9-13(10-24-14)11-5-7-20-8-6-11)15(12-3-4-12)16(23)22(2)17(19)21-18/h5-10,12,15H,3-4H2,1-2H3,(H2,19,21)/t15-,18+/m0/s1
InChIKeyGARIDHLLYFBQLH-MAUKXSAKSA-N
MW340.45 g/mol
LogP2.84
Rot. Bonds3

About (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one

(5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one (PubChem CID 59389064) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one
PubChem CID59389064
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name(5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one
SMILESCN1C(=O)[C@H](C2CC2)[C@@](C)(c2cc(-c3ccncc3)cs2)N=C1N
InChIInChI=1S/C18H20N4OS/c1-18(14-9-13(10-24-14)11-5-7-20-8-6-11)15(12-3-4-12)16(23)22(2)17(19)21-18/h5-10,12,15H,3-4H2,1-2H3,(H2,19,21)/t15-,18+/m0/s1
InChIKeyGARIDHLLYFBQLH-MAUKXSAKSA-N
XLogP2.84
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one?
The IUPAC name of (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one (CID 59389064) is (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one.
What is the SMILES notation for (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one?
The canonical SMILES for (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one is CN1C(=O)[C@H](C2CC2)[C@@](C)(c2cc(-c3ccncc3)cs2)N=C1N.
What is the InChIKey of (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one?
The InChIKey is GARIDHLLYFBQLH-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-18(14-9-13(10-24-14)11-5-7-20-8-6-11)15(12-3-4-12)16(23)22(2)17(19)21-18/h5-10,12,15H,3-4H2,1-2H3,(H2,19,21)/t15-,18+/m0/s1.
What are the key properties of (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one?
(5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one has a molecular weight of 340.45 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one is sourced from PubChem (CID 59389064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).