2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine

C12H17N5S — CID 113387604

IUPAC2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NC(C)c2ncc(C)s2)n1
InChIInChI=1S/C12H17N5S/c1-4-10-16-9(13)5-11(17-10)15-8(3)12-14-6-7(2)18-12/h5-6,8H,4H2,1-3H3,(H3,13,15,16,17)
InChIKeyXBHAMLYVQSXVAG-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.56
Rot. Bonds4

About 2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine

2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 113387604) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID113387604
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NC(C)c2ncc(C)s2)n1
InChIInChI=1S/C12H17N5S/c1-4-10-16-9(13)5-11(17-10)15-8(3)12-14-6-7(2)18-12/h5-6,8H,4H2,1-3H3,(H3,13,15,16,17)
InChIKeyXBHAMLYVQSXVAG-UHFFFAOYSA-N
XLogP2.56
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80933934
2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80949949
2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80941375
methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate
CID 80935382
2-(methoxymethyl)-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 106390312
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-N-ethylpropanamide
CID 80935004
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine
CID 115681209
2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine
CID 103437286
2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028697
2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine
CID 80934673
6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80942180
2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80934420

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (CID 113387604) is 2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is CCc1nc(N)cc(NC(C)c2ncc(C)s2)n1.
What is the InChIKey of 2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is XBHAMLYVQSXVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-4-10-16-9(13)5-11(17-10)15-8(3)12-14-6-7(2)18-12/h5-6,8H,4H2,1-3H3,(H3,13,15,16,17).
What are the key properties of 2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 113387604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).