N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine

C19H20FN3OS — CID 123715931

IUPACN-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(Nc3ccc(F)cc3OC3CCCCC3)c12
InChIInChI=1S/C19H20FN3OS/c1-12-10-25-19-17(12)18(21-11-22-19)23-15-8-7-13(20)9-16(15)24-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,21,22,23)
InChIKeyKPGIAAPHDBTXGI-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.59
Rot. Bonds4

About N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine

N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 123715931) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID123715931
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC NameN-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(Nc3ccc(F)cc3OC3CCCCC3)c12
InChIInChI=1S/C19H20FN3OS/c1-12-10-25-19-17(12)18(21-11-22-19)23-15-8-7-13(20)9-16(15)24-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,21,22,23)
InChIKeyKPGIAAPHDBTXGI-UHFFFAOYSA-N
XLogP5.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 15985925
methyl 4-(2-cyclohexyloxy-4-fluoroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 123463786
N-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 123380057
4-N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylquinazoline-4,7-diamine;methanethiol;methanol
CID 144623004
ethyl 4-(2-cyclohexyloxy-4-fluoroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 123436766
4-N-[4-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]-5-methylquinazoline-4,7-diamine
CID 129116341
methyl 4-[4-fluoro-2-[(1S,3S)-3-hydroxycyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 131731623
4-[4-fluoro-2-[(1S,3S)-3-hydroxycyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 67390263
methyl 4-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 140567670
4-[4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 58421506
N-[3-acetamido-2-[5-fluoro-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]propyl]acetamide
CID 123611251
6-ethynyl-N-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 89090882

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine (CID 123715931) is N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine is Cc1csc2ncnc(Nc3ccc(F)cc3OC3CCCCC3)c12.
What is the InChIKey of N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KPGIAAPHDBTXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS/c1-12-10-25-19-17(12)18(21-11-22-19)23-15-8-7-13(20)9-16(15)24-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,21,22,23).
What are the key properties of N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 357.45 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 123715931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).