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

C12H17N5S — CID 80827845

IUPAC2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1nccc(NCCc2nc(C)cs2)n1
InChIInChI=1S/C12H17N5S/c1-3-13-12-15-6-4-10(17-12)14-7-5-11-16-9(2)8-18-11/h4,6,8H,3,5,7H2,1-2H3,(H2,13,14,15,17)
InChIKeyNJUHUIPVXVLYLW-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.33
Rot. Bonds6

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

2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80827845) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID80827845
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1nccc(NCCc2nc(C)cs2)n1
InChIInChI=1S/C12H17N5S/c1-3-13-12-15-6-4-10(17-12)14-7-5-11-16-9(2)8-18-11/h4,6,8H,3,5,7H2,1-2H3,(H2,13,14,15,17)
InChIKeyNJUHUIPVXVLYLW-UHFFFAOYSA-N
XLogP2.33
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80807385
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637612
2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 103756472
4-N-(2-ethoxyethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80792749
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 78929804
2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114785145
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 104771355
2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80809040
3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine
CID 102758195
2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 80830333
2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80788132
3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80787264

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine (CID 80827845) is 2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine is CCNc1nccc(NCCc2nc(C)cs2)n1.
What is the InChIKey of 2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is NJUHUIPVXVLYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-3-13-12-15-6-4-10(17-12)14-7-5-11-16-9(2)8-18-11/h4,6,8H,3,5,7H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80827845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).