7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

C17H14ClN5S — CID 126495636

IUPAC7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1Cl
InChIInChI=1S/C17H14ClN5S/c1-10-15(12-5-3-4-6-13(12)18)16-14(24-10)8-19-17(22-16)21-11-7-20-23(2)9-11/h3-9H,1-2H3,(H,19,21,22)
InChIKeyVEVBCYAIAJHOQM-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.80
Rot. Bonds3

About 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 126495636) has the molecular formula C17H14ClN5S and a molecular weight of 355.85 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID126495636
Molecular FormulaC17H14ClN5S
Molecular Weight355.85 g/mol
Exact Mass355.07
IUPAC Name7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1Cl
InChIInChI=1S/C17H14ClN5S/c1-10-15(12-5-3-4-6-13(12)18)16-14(24-10)8-19-17(22-16)21-11-7-20-23(2)9-11/h3-9H,1-2H3,(H,19,21,22)
InChIKeyVEVBCYAIAJHOQM-UHFFFAOYSA-N
XLogP4.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenyl)-2-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-5-amine
CID 139454099
1-(azetidin-1-yl)-2-[[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methoxy]ethanone
CID 163745055
7-[4-(bromomethyl)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[4-(3-bromopropoxy)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]acetic acid;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]benzaldehyde;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol
CID 159685201
4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol
CID 155203647
(2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol
CID 71239843
5-methyl-N-(1-methylpyrazol-4-yl)-4-trimethylstannylpyrimidin-2-amine
CID 170573572
1-[(2,3-dichlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 67113576
4-(4-chloro-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 69093900
bis((E)-but-2-enedioic acid);bis(7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine)
CID 161088432
(2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-methyl-2-phenylacetamide
CID 71240083
2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 79779087
6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
CID 155777536

Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (CID 126495636) is 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is Cc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1Cl.
What is the InChIKey of 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is VEVBCYAIAJHOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5S/c1-10-15(12-5-3-4-6-13(12)18)16-14(24-10)8-19-17(22-16)21-11-7-20-23(2)9-11/h3-9H,1-2H3,(H,19,21,22).
What are the key properties of 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 355.85 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 126495636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).