N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine

C16H16FN3S — CID 92725820

IUPACN-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC[C@@H](C)Nc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C16H16FN3S/c1-3-10(2)20-15-14-13(8-21-16(14)19-9-18-15)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3,(H,18,19,20)/t10-/m1/s1
InChIKeyYDEOVWMIAQPBPX-SNVBAGLBSA-N
MW301.39 g/mol
LogP4.71
Rot. Bonds4

About N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine

N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 92725820) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID92725820
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC NameN-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC[C@@H](C)Nc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C16H16FN3S/c1-3-10(2)20-15-14-13(8-21-16(14)19-9-18-15)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3,(H,18,19,20)/t10-/m1/s1
InChIKeyYDEOVWMIAQPBPX-SNVBAGLBSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 4005509
5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid
CID 82022196
N-[2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 2527358
5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28849118
5-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 24541698
5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 1194680
2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 4076019
N-(cyclopentylideneamino)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 8982388
5-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 95266346
methyl 4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate
CID 9195748
5-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21011948
5-(4-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 75419576

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 92725820) is N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is CC[C@@H](C)Nc1ncnc2scc(-c3ccc(F)cc3)c12.
What is the InChIKey of N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YDEOVWMIAQPBPX-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16FN3S/c1-3-10(2)20-15-14-13(8-21-16(14)19-9-18-15)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3,(H,18,19,20)/t10-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 92725820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).