2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine

C15H16N4S — CID 103324196

IUPAC2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC(C)c2ccccc2)c2ccsc2n1
InChIInChI=1S/C15H16N4S/c1-10(11-6-4-3-5-7-11)17-13-12-8-9-20-14(12)19-15(16-2)18-13/h3-10H,1-2H3,(H2,16,17,18,19)
InChIKeyQSEZAWUMHAGBKS-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.91
Rot. Bonds4

About 2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324196) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324196
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC(C)c2ccccc2)c2ccsc2n1
InChIInChI=1S/C15H16N4S/c1-10(11-6-4-3-5-7-11)17-13-12-8-9-20-14(12)19-15(16-2)18-13/h3-10H,1-2H3,(H2,16,17,18,19)
InChIKeyQSEZAWUMHAGBKS-UHFFFAOYSA-N
XLogP3.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326031
2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324758
4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309306
2-N-methyl-4-N-(2-methylpentan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325944
4-N-[1-(dimethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329471
4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329698
4-N-(4-methoxybutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328328
4-N-[1-(diethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326985
4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 106358078
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329081
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326180
N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
CID 103329780

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103324196) is 2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(NC(C)c2ccccc2)c2ccsc2n1.
What is the InChIKey of 2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QSEZAWUMHAGBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-10(11-6-4-3-5-7-11)17-13-12-8-9-20-14(12)19-15(16-2)18-13/h3-10H,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 284.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).