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

C18H19N3OS — CID 15985925

IUPACN-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(Nc3ccccc3OC3CCCC3)c12
InChIInChI=1S/C18H19N3OS/c1-12-10-23-18-16(12)17(19-11-20-18)21-14-8-4-5-9-15(14)22-13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,19,20,21)
InChIKeyQETVMTPVRMNKKL-UHFFFAOYSA-N
MW325.44 g/mol
LogP5.06
Rot. Bonds4

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

N-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 15985925) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID15985925
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(Nc3ccccc3OC3CCCC3)c12
InChIInChI=1S/C18H19N3OS/c1-12-10-23-18-16(12)17(19-11-20-18)21-14-8-4-5-9-15(14)22-13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,19,20,21)
InChIKeyQETVMTPVRMNKKL-UHFFFAOYSA-N
XLogP5.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.44
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 123715931
cyclopropyl-[3-[2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]pyrrolidin-1-yl]methanone
CID 68792195
N-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 15985997
N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 16731202
N-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 57422571
2-cyclopentyloxy-N-methylaniline
CID 130903637
N-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 59360026
5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 1194680
4-(2-cyclopentyloxyanilino)-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide
CID 118062583
methyl 4-(2-cyclohexyloxy-4-fluoroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 123463786
4-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 123828664
N-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 123380057

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine (CID 15985925) is N-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine is Cc1csc2ncnc(Nc3ccccc3OC3CCCC3)c12.
What is the InChIKey of N-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QETVMTPVRMNKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-10-23-18-16(12)17(19-11-20-18)21-14-8-4-5-9-15(14)22-13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,19,20,21).
What are the key properties of N-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
N-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 325.44 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 15985925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).