N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine

C16H17N3S — CID 62402452

IUPACN-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(CCNc1ncnc2sccc12)c1ccccc1
InChIInChI=1S/C16H17N3S/c1-12(13-5-3-2-4-6-13)7-9-17-15-14-8-10-20-16(14)19-11-18-15/h2-6,8,10-12H,7,9H2,1H3,(H,17,18,19)
InChIKeyAQUAQYYSBJNFGC-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.30
Rot. Bonds5

About N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine

N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62402452) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID62402452
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(CCNc1ncnc2sccc12)c1ccccc1
InChIInChI=1S/C16H17N3S/c1-12(13-5-3-2-4-6-13)7-9-17-15-14-8-10-20-16(14)19-11-18-15/h2-6,8,10-12H,7,9H2,1H3,(H,17,18,19)
InChIKeyAQUAQYYSBJNFGC-UHFFFAOYSA-N
XLogP4.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-phenylbutyl)-1,3-thiazol-2-amine
CID 62402809
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312
N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663560
N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine
CID 115628477
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
6-methoxy-5-methyl-N-(3-phenylbutyl)pyrimidin-4-amine
CID 66325227
N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 43087172
3-(thieno[2,3-d]pyrimidin-4-ylamino)propanenitrile
CID 9107580
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 115637407
1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol
CID 115622916

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine (CID 62402452) is N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine is CC(CCNc1ncnc2sccc12)c1ccccc1.
What is the InChIKey of N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AQUAQYYSBJNFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-12(13-5-3-2-4-6-13)7-9-17-15-14-8-10-20-16(14)19-11-18-15/h2-6,8,10-12H,7,9H2,1H3,(H,17,18,19).
What are the key properties of N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine?
N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62402452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).