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

C13H19N5S — CID 106041717

IUPAC2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCCc2csc(C)n2)n1
InChIInChI=1S/C13H19N5S/c1-4-14-13-16-7-9(2)12(18-13)15-6-5-11-8-19-10(3)17-11/h7-8H,4-6H2,1-3H3,(H2,14,15,16,18)
InChIKeyOXMMTPXRWOWIMT-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.64
Rot. Bonds6

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

2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 106041717) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID106041717
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCCc2csc(C)n2)n1
InChIInChI=1S/C13H19N5S/c1-4-14-13-16-7-9(2)12(18-13)15-6-5-11-8-19-10(3)17-11/h7-8H,4-6H2,1-3H3,(H2,14,15,16,18)
InChIKeyOXMMTPXRWOWIMT-UHFFFAOYSA-N
XLogP2.64
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807145
5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041870
6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106041779
6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 106041828
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-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80785003
3,5-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 114140629
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol
CID 113498180
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,7-naphthyridin-1-amine
CID 166260063
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091
2-N-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 106327612
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 2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine (CID 106041717) is 2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine is CCNc1ncc(C)c(NCCc2csc(C)n2)n1.
What is the InChIKey of 2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is OXMMTPXRWOWIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-4-14-13-16-7-9(2)12(18-13)15-6-5-11-8-19-10(3)17-11/h7-8H,4-6H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine?
2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 277.40 g/mol, XLogP of 2.64, 6 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-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 106041717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).