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

C12H17N5S — CID 80807145

IUPAC2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCc2csc(C)n2)n1
InChIInChI=1S/C12H17N5S/c1-4-13-12-15-5-8(2)11(17-12)14-6-10-7-18-9(3)16-10/h5,7H,4,6H2,1-3H3,(H2,13,14,15,17)
InChIKeyQDVWLZCVBUQPJZ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.59
Rot. Bonds5

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

2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80807145) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80807145
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCc2csc(C)n2)n1
InChIInChI=1S/C12H17N5S/c1-4-13-12-15-5-8(2)11(17-12)14-6-10-7-18-9(3)16-10/h5,7H,4,6H2,1-3H3,(H2,13,14,15,17)
InChIKeyQDVWLZCVBUQPJZ-UHFFFAOYSA-N
XLogP2.59
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041717
2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80775595
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80807042
4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80784173
3,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
CID 65416461
2-N-ethyl-6-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807956
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091
5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 71922543
5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine
CID 80855209
2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80822122
5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041870
4-N-[(4-bromothiophen-2-yl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80837442

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine (CID 80807145) is 2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine is CCNc1ncc(C)c(NCc2csc(C)n2)n1.
What is the InChIKey of 2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is QDVWLZCVBUQPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-4-13-12-15-5-8(2)11(17-12)14-6-10-7-18-9(3)16-10/h5,7H,4,6H2,1-3H3,(H2,13,14,15,17).
What are the key properties of 2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80807145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).