N-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine

C16H17N3OS — CID 67604920

IUPACN-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1CC(C)Nc1ncnc2sccc12
InChIInChI=1S/C16H17N3OS/c1-11(9-12-5-3-4-6-14(12)20-2)19-15-13-7-8-21-16(13)18-10-17-15/h3-8,10-11H,9H2,1-2H3,(H,17,18,19)
InChIKeyMQDSPZQLRPUQEQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.74
Rot. Bonds5

About N-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine

N-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 67604920) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID67604920
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1CC(C)Nc1ncnc2sccc12
InChIInChI=1S/C16H17N3OS/c1-11(9-12-5-3-4-6-14(12)20-2)19-15-13-7-8-21-16(13)18-10-17-15/h3-8,10-11H,9H2,1-2H3,(H,17,18,19)
InChIKeyMQDSPZQLRPUQEQ-UHFFFAOYSA-N
XLogP3.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 67605109
N-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 60966377
N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 62735152
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 13038322
1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 61285032
N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 75493496
N-[(2-methoxyphenyl)methyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705199
N-[(2-methoxyphenyl)methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 78847119
3-methoxy-2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 106182134
4-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 50909782
N-[1-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 13038313

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine (CID 67604920) is N-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine is COc1ccccc1CC(C)Nc1ncnc2sccc12.
What is the InChIKey of N-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MQDSPZQLRPUQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11(9-12-5-3-4-6-14(12)20-2)19-15-13-7-8-21-16(13)18-10-17-15/h3-8,10-11H,9H2,1-2H3,(H,17,18,19).
What are the key properties of N-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
N-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 67604920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).