5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine

C15H22N4S — CID 80986072

IUPAC5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ccc(C(C)Nc2nc(C(C)C)nc(N)c2C)s1
InChIInChI=1S/C15H22N4S/c1-8(2)14-18-13(16)10(4)15(19-14)17-11(5)12-7-6-9(3)20-12/h6-8,11H,1-5H3,(H3,16,17,18,19)
InChIKeyTYSRHKCGVAIQRW-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.03
Rot. Bonds4

About 5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine

5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80986072) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80986072
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ccc(C(C)Nc2nc(C(C)C)nc(N)c2C)s1
InChIInChI=1S/C15H22N4S/c1-8(2)14-18-13(16)10(4)15(19-14)17-11(5)12-7-6-9(3)20-12/h6-8,11H,1-5H3,(H3,16,17,18,19)
InChIKeyTYSRHKCGVAIQRW-UHFFFAOYSA-N
XLogP4.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-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

5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80994228
6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 81132314
3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine
CID 102756938
5-chloro-4-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80801155
4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986912
5-bromo-4-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80800412
2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80784345
4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976699
5-bromo-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 54952971
methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 80987605
4-N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983416
5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976348

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 80986072) is 5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine is Cc1ccc(C(C)Nc2nc(C(C)C)nc(N)c2C)s1.
What is the InChIKey of 5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is TYSRHKCGVAIQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-8(2)14-18-13(16)10(4)15(19-14)17-11(5)12-7-6-9(3)20-12/h6-8,11H,1-5H3,(H3,16,17,18,19).
What are the key properties of 5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine?
5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 290.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80986072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).