5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine

C11H15N5S — CID 106041870

IUPAC5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1nc(CCNc2nc(N)ncc2C)cs1
InChIInChI=1S/C11H15N5S/c1-7-5-14-11(12)16-10(7)13-4-3-9-6-17-8(2)15-9/h5-6H,3-4H2,1-2H3,(H3,12,13,14,16)
InChIKeyBGQKGYGJWSAWTJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.79
Rot. Bonds4

About 5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine

5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 106041870) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID106041870
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1nc(CCNc2nc(N)ncc2C)cs1
InChIInChI=1S/C11H15N5S/c1-7-5-14-11(12)16-10(7)13-4-3-9-6-17-8(2)15-9/h5-6H,3-4H2,1-2H3,(H3,12,13,14,16)
InChIKeyBGQKGYGJWSAWTJ-UHFFFAOYSA-N
XLogP1.79
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]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-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041717
3,5-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 114140629
6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine
CID 113253638
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,7-naphthyridin-1-amine
CID 166260063
4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
CID 106036173
6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106041779
5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136908657
5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide
CID 106039404
6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106041611
2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807145
6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 106041828
2-hydrazinyl-6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106043581

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine (CID 106041870) is 5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine is Cc1nc(CCNc2nc(N)ncc2C)cs1.
What is the InChIKey of 5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is BGQKGYGJWSAWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-7-5-14-11(12)16-10(7)13-4-3-9-6-17-8(2)15-9/h5-6H,3-4H2,1-2H3,(H3,12,13,14,16).
What are the key properties of 5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine?
5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 249.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 106041870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).