5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine

C17H20N4S — CID 509248

IUPAC5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1c(CCCCc2ccccc2)sc2nc(N)nc(N)c12
InChIInChI=1S/C17H20N4S/c1-11-13(10-6-5-9-12-7-3-2-4-8-12)22-16-14(11)15(18)20-17(19)21-16/h2-4,7-8H,5-6,9-10H2,1H3,(H4,18,19,20,21)
InChIKeyWNMFPFQVJDLOAT-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.73
Rot. Bonds5

About 5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine

5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 509248) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID509248
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1c(CCCCc2ccccc2)sc2nc(N)nc(N)c12
InChIInChI=1S/C17H20N4S/c1-11-13(10-6-5-9-12-7-3-2-4-8-12)22-16-14(11)15(18)20-17(19)21-16/h2-4,7-8H,5-6,9-10H2,1H3,(H4,18,19,20,21)
InChIKeyWNMFPFQVJDLOAT-UHFFFAOYSA-N
XLogP3.73
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(5-phenylpentyl)pyrimidine-2,4-diamine
CID 134120441
6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 44531577
5-methyl-4-(3-phenylpropyl)-1,3-thiazol-2-amine
CID 91609716
4-phenylbutylbenzene
CID 141301927
7-methylsulfanyl-2-(2-phenylethyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
CID 66758805
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine
CID 80791770
5-methyl-1-(4-phenylbutyl)triazol-4-amine
CID 114335029
4-chlorobutylbenzene;ethane
CID 142108519
5-methyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 11608193
2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid
CID 3064744

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 509248) is 5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine is Cc1c(CCCCc2ccccc2)sc2nc(N)nc(N)c12.
What is the InChIKey of 5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is WNMFPFQVJDLOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-11-13(10-6-5-9-12-7-3-2-4-8-12)22-16-14(11)15(18)20-17(19)21-16/h2-4,7-8H,5-6,9-10H2,1H3,(H4,18,19,20,21).
What are the key properties of 5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 312.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 509248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).