(2R)-2-[2-chloro-4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]-2-phenylacetonitrile

C20H13ClN4S — CID 7872803

IUPAC(2R)-2-[2-chloro-4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]-2-phenylacetonitrile
SMILESN#C[C@H](c1ccccc1)c1ccc(Nc2ncnc3sccc23)cc1Cl
InChIInChI=1S/C20H13ClN4S/c21-18-10-14(25-19-16-8-9-26-20(16)24-12-23-19)6-7-15(18)17(11-22)13-4-2-1-3-5-13/h1-10,12,17H,(H,23,24,25)/t17-/m1/s1
InChIKeyFZNJVESGXNBICY-QGZVFWFLSA-N
MW376.87 g/mol
LogP5.74
Rot. Bonds4

About (2R)-2-[2-chloro-4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]-2-phenylacetonitrile

(2R)-2-[2-chloro-4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]-2-phenylacetonitrile (PubChem CID 7872803) has the molecular formula C20H13ClN4S and a molecular weight of 376.87 g/mol. Its IUPAC name is (2R)-2-[2-chloro-4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]-2-phenylacetonitrile.

Molecular Properties

Compound Name(2R)-2-[2-chloro-4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]-2-phenylacetonitrile
PubChem CID7872803
Molecular FormulaC20H13ClN4S
Molecular Weight376.87 g/mol
Exact Mass376.05
IUPAC Name(2R)-2-[2-chloro-4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]-2-phenylacetonitrile
SMILESN#C[C@H](c1ccccc1)c1ccc(Nc2ncnc3sccc23)cc1Cl
InChIInChI=1S/C20H13ClN4S/c21-18-10-14(25-19-16-8-9-26-20(16)24-12-23-19)6-7-15(18)17(11-22)13-4-2-1-3-5-13/h1-10,12,17H,(H,23,24,25)/t17-/m1/s1
InChIKeyFZNJVESGXNBICY-QGZVFWFLSA-N
XLogP5.74
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.87
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[2-chloro-4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]-2-phenylacetonitrile with MolForge

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Related Compounds

N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 2495547
N-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine
CID 91319173
(E)-3-[3-chloro-4-[(R)-cyano(phenyl)methyl]anilino]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 8811951
N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 9450827
2,2-diphenyl-N-thieno[2,3-d]pyrimidin-4-ylacetamide
CID 7615397
N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2538570
3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
CID 4782547
N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 41332400
(2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 94546891
2-chloro-N-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066169
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 9101289
N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 62402452

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-chloro-4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]-2-phenylacetonitrile?
The IUPAC name of (2R)-2-[2-chloro-4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]-2-phenylacetonitrile (CID 7872803) is (2R)-2-[2-chloro-4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]-2-phenylacetonitrile.
What is the SMILES notation for (2R)-2-[2-chloro-4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]-2-phenylacetonitrile?
The canonical SMILES for (2R)-2-[2-chloro-4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]-2-phenylacetonitrile is N#C[C@H](c1ccccc1)c1ccc(Nc2ncnc3sccc23)cc1Cl.
What is the InChIKey of (2R)-2-[2-chloro-4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]-2-phenylacetonitrile?
The InChIKey is FZNJVESGXNBICY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H13ClN4S/c21-18-10-14(25-19-16-8-9-26-20(16)24-12-23-19)6-7-15(18)17(11-22)13-4-2-1-3-5-13/h1-10,12,17H,(H,23,24,25)/t17-/m1/s1.
What are the key properties of (2R)-2-[2-chloro-4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]-2-phenylacetonitrile?
(2R)-2-[2-chloro-4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]-2-phenylacetonitrile has a molecular weight of 376.87 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-chloro-4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]-2-phenylacetonitrile is sourced from PubChem (CID 7872803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).