N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

C17H13Cl2N5S — CID 154490597

IUPACN-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(-c3ccn[nH]3)nc2s1
InChIInChI=1S/C17H13Cl2N5S/c1-9-6-11-15(20-8-10-2-3-12(18)13(19)7-10)22-16(23-17(11)25-9)14-4-5-21-24-14/h2-7H,8H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyLMXLPPMJSIWDCR-UHFFFAOYSA-N
MW390.30 g/mol
LogP5.31
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 154490597) has the molecular formula C17H13Cl2N5S and a molecular weight of 390.30 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID154490597
Molecular FormulaC17H13Cl2N5S
Molecular Weight390.30 g/mol
Exact Mass389.03
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(-c3ccn[nH]3)nc2s1
InChIInChI=1S/C17H13Cl2N5S/c1-9-6-11-15(20-8-10-2-3-12(18)13(19)7-10)22-16(23-17(11)25-9)14-4-5-21-24-14/h2-7H,8H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyLMXLPPMJSIWDCR-UHFFFAOYSA-N
XLogP5.31
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.30
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18459933
N-[(4-fluorophenyl)methyl]-6-nitro-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 154490594
6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965174
2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321095
6-chloro-N-[(3,4-dichlorophenyl)methyl]-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;4,6-dichloro-2-pyridin-4-ylthieno[2,3-d]pyrimidine
CID 159693596
N-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 18460321
N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4060721
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18686800
4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 161065061
N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320817
2-chloro-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 114156486
5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 18460507

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (CID 154490597) is N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(-c3ccn[nH]3)nc2s1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LMXLPPMJSIWDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5S/c1-9-6-11-15(20-8-10-2-3-12(18)13(19)7-10)22-16(23-17(11)25-9)14-4-5-21-24-14/h2-7H,8H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 390.30 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 154490597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).