4-N-(4-chloro-2-fluorophenyl)-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine

C15H14ClFN4S — CID 46948685

IUPAC4-N-(4-chloro-2-fluorophenyl)-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(Nc2ccc(Cl)cc2F)c2sccc2n1
InChIInChI=1S/C15H14ClFN4S/c1-8(2)18-15-20-12-5-6-22-13(12)14(21-15)19-11-4-3-9(16)7-10(11)17/h3-8H,1-2H3,(H2,18,19,20,21)
InChIKeyLRBOSSPVCASFFP-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.05
Rot. Bonds4

About 4-N-(4-chloro-2-fluorophenyl)-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine

4-N-(4-chloro-2-fluorophenyl)-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 46948685) has the molecular formula C15H14ClFN4S and a molecular weight of 336.82 g/mol. Its IUPAC name is 4-N-(4-chloro-2-fluorophenyl)-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2-fluorophenyl)-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID46948685
Molecular FormulaC15H14ClFN4S
Molecular Weight336.82 g/mol
Exact Mass336.06
IUPAC Name4-N-(4-chloro-2-fluorophenyl)-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(Nc2ccc(Cl)cc2F)c2sccc2n1
InChIInChI=1S/C15H14ClFN4S/c1-8(2)18-15-20-12-5-6-22-13(12)14(21-15)19-11-4-3-9(16)7-10(11)17/h3-8H,1-2H3,(H2,18,19,20,21)
InChIKeyLRBOSSPVCASFFP-UHFFFAOYSA-N
XLogP5.05
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(4-chloro-2-fluorophenyl)-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-[2-chloro-4-(trifluoromethyl)phenyl]-N4-[3-(dimethylamino)propyl]-N2-methyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 76317940
2,4-Bis(N-methylphenylamino)thieno[3,2-d]pyrimidine
CID 10315630
N-(3-chlorophenyl)thieno[3,2-d]pyrimidin-4-amine
CID 57429038
4-N-benzyl-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 49789564
N-allyl-2-(allylsulfanyl)thieno[3,2-d]pyrimidin-4-amine
CID 3750330
N-allyl-2-(methylsulfanyl)thieno[3,2-d]pyrimidin-4-amine
CID 3825851
2-butyl-N-cyclohexylthieno[3,2-d]pyrimidin-4-amine
CID 10266192
2-butyl-N-phenylthieno[3,2-d]pyrimidin-4-amine
CID 10660654
2-butyl-N-[(2,6-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 10830480
N-[2-(4-chlorophenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 35245378
4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 44530169
1-(4-Chlorophenyl)-3-[4-[4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidin-2-yl]phenyl]urea
CID 118711318

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-fluorophenyl)-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chloro-2-fluorophenyl)-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine (CID 46948685) is 4-N-(4-chloro-2-fluorophenyl)-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chloro-2-fluorophenyl)-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chloro-2-fluorophenyl)-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine is CC(C)Nc1nc(Nc2ccc(Cl)cc2F)c2sccc2n1.
What is the InChIKey of 4-N-(4-chloro-2-fluorophenyl)-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is LRBOSSPVCASFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4S/c1-8(2)18-15-20-12-5-6-22-13(12)14(21-15)19-11-4-3-9(16)7-10(11)17/h3-8H,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(4-chloro-2-fluorophenyl)-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?
4-N-(4-chloro-2-fluorophenyl)-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 336.82 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2-fluorophenyl)-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 46948685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).