2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine

C14H20N4S — CID 80808164

IUPAC2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(NC(c2cccs2)C(C)C)n1
InChIInChI=1S/C14H20N4S/c1-4-15-14-16-8-7-12(18-14)17-13(10(2)3)11-6-5-9-19-11/h5-10,13H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeyKZZSKRNMJYWVRD-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.78
Rot. Bonds6

About 2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine

2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine (PubChem CID 80808164) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
PubChem CID80808164
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(NC(c2cccs2)C(C)C)n1
InChIInChI=1S/C14H20N4S/c1-4-15-14-16-8-7-12(18-14)17-13(10(2)3)11-6-5-9-19-11/h5-10,13H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeyKZZSKRNMJYWVRD-UHFFFAOYSA-N
XLogP3.78
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807159
2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80830294
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807669
2-N-ethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
CID 80786237
2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801501
2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80800278
4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine
CID 80807193
1-[[2-(ethylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779056
5-chloro-2-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 80781944
2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine
CID 80837494
6-chloro-4-N-ethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80780980

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine (CID 80808164) is 2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine is CCNc1nccc(NC(c2cccs2)C(C)C)n1.
What is the InChIKey of 2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine?
The InChIKey is KZZSKRNMJYWVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-4-15-14-16-8-7-12(18-14)17-13(10(2)3)11-6-5-9-19-11/h5-10,13H,4H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80808164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).