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

C16H17FN4S — CID 135256958

IUPAC4-N-[(2-fluorophenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(NCc2ccccc2F)c2sccc2n1
InChIInChI=1S/C16H17FN4S/c1-10(2)19-16-20-13-7-8-22-14(13)15(21-16)18-9-11-5-3-4-6-12(11)17/h3-8,10H,9H2,1-2H3,(H2,18,19,20,21)
InChIKeyANHNERCDEBWMQA-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.26
Rot. Bonds5

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

4-N-[(2-fluorophenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 135256958) has the molecular formula C16H17FN4S and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID135256958
Molecular FormulaC16H17FN4S
Molecular Weight316.41 g/mol
Exact Mass316.12
IUPAC Name4-N-[(2-fluorophenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(NCc2ccccc2F)c2sccc2n1
InChIInChI=1S/C16H17FN4S/c1-10(2)19-16-20-13-7-8-22-14(13)15(21-16)18-9-11-5-3-4-6-12(11)17/h3-8,10H,9H2,1-2H3,(H2,18,19,20,21)
InChIKeyANHNERCDEBWMQA-UHFFFAOYSA-N
XLogP4.26
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-N-propan-2-yl-4-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 146234493
2-N-tert-butyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 146234446
2-N-cyclopropyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 146234492
4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80773003
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750421
4-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 170372930
2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 135240154
1-[4-[[4-[(2-propan-2-ylsulfonylphenyl)methylamino]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol
CID 139305705
6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271586
2-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]phenol
CID 113228774
4-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 134106271
4-(2-methylidenepyrrolidin-1-yl)-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 142386956

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine (CID 135256958) is 4-N-[(2-fluorophenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine is CC(C)Nc1nc(NCc2ccccc2F)c2sccc2n1.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is ANHNERCDEBWMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4S/c1-10(2)19-16-20-13-7-8-22-14(13)15(21-16)18-9-11-5-3-4-6-12(11)17/h3-8,10H,9H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?
4-N-[(2-fluorophenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 316.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 135256958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).