N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine

C19H13Cl2N3S — CID 21009781

IUPACN-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Cl)cc1Nc1ncnc2scc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C19H13Cl2N3S/c1-11-2-5-14(21)8-16(11)24-18-17-15(9-25-19(17)23-10-22-18)12-3-6-13(20)7-4-12/h2-10H,1H3,(H,22,23,24)
InChIKeyVCJLGPVZMDPBOL-UHFFFAOYSA-N
MW386.31 g/mol
LogP6.72
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine

N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 21009781) has the molecular formula C19H13Cl2N3S and a molecular weight of 386.31 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID21009781
Molecular FormulaC19H13Cl2N3S
Molecular Weight386.31 g/mol
Exact Mass385.02
IUPAC NameN-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Cl)cc1Nc1ncnc2scc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C19H13Cl2N3S/c1-11-2-5-14(21)8-16(11)24-18-17-15(9-25-19(17)23-10-22-18)12-3-6-13(20)7-4-12/h2-10H,1H3,(H,22,23,24)
InChIKeyVCJLGPVZMDPBOL-UHFFFAOYSA-N
XLogP6.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.31
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-(3,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 3820162
N-(2-chlorophenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009623
N-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009652
4-chloro-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011514
N-(2-methylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011105
5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695571
5-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010769
3-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-methylbenzoic acid
CID 21012436
5-(4-bromophenyl)-N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011309
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 20964581
5-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 17010811
4-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-methylphenol
CID 21010234

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 21009781) is N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(Cl)cc1Nc1ncnc2scc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VCJLGPVZMDPBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3S/c1-11-2-5-14(21)8-16(11)24-18-17-15(9-25-19(17)23-10-22-18)12-3-6-13(20)7-4-12/h2-10H,1H3,(H,22,23,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 386.31 g/mol, XLogP of 6.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21009781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).