4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine

C16H16ClN3S — CID 95507005

IUPAC4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1sc2nc(NC(C)C)nc(Cl)c2c1-c1ccccc1
InChIInChI=1S/C16H16ClN3S/c1-9(2)18-16-19-14(17)13-12(10(3)21-15(13)20-16)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,18,19,20)
InChIKeyPVYHMMMJEBLSON-UHFFFAOYSA-N
MW317.85 g/mol
LogP5.14
Rot. Bonds3

About 4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine

4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 95507005) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is 4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
PubChem CID95507005
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC Name4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1sc2nc(NC(C)C)nc(Cl)c2c1-c1ccccc1
InChIInChI=1S/C16H16ClN3S/c1-9(2)18-16-19-14(17)13-12(10(3)21-15(13)20-16)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,18,19,20)
InChIKeyPVYHMMMJEBLSON-UHFFFAOYSA-N
XLogP5.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.85
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 95507149
N-butan-2-yl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 82309488
4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine
CID 28864504
2-chloro-6-methyl-5-phenyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine
CID 82065647
4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309306
2-(6-methyl-4-oxo-5-phenyl-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898456
2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid
CID 44639673
(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 735300
5-(2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine
CID 116977237
2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 91964645
2-chloro-5-(4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 93214424
6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 3767089

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine (CID 95507005) is 4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine is Cc1sc2nc(NC(C)C)nc(Cl)c2c1-c1ccccc1.
What is the InChIKey of 4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is PVYHMMMJEBLSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-9(2)18-16-19-14(17)13-12(10(3)21-15(13)20-16)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of 4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine?
4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 317.85 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 95507005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).