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

C12H17N5S — CID 80941375

IUPAC2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NC(CC)c2nccs2)n1
InChIInChI=1S/C12H17N5S/c1-3-8(12-14-5-6-18-12)15-11-7-9(13)16-10(4-2)17-11/h5-8H,3-4H2,1-2H3,(H3,13,15,16,17)
InChIKeyMKLZUNBEYJOLOE-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.64
Rot. Bonds5

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

2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine (PubChem CID 80941375) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
PubChem CID80941375
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NC(CC)c2nccs2)n1
InChIInChI=1S/C12H17N5S/c1-3-8(12-14-5-6-18-12)15-11-7-9(13)16-10(4-2)17-11/h5-8H,3-4H2,1-2H3,(H3,13,15,16,17)
InChIKeyMKLZUNBEYJOLOE-UHFFFAOYSA-N
XLogP2.64
TPSA76.72 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 ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772193
4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80837709
2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80949949
2-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 97327991
2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide
CID 114767731
5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine
CID 66279886
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine
CID 80845103
2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 113387604
2-ethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80933934
2-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80941605
6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 66328037

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine (CID 80941375) is 2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine is CCc1nc(N)cc(NC(CC)c2nccs2)n1.
What is the InChIKey of 2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine?
The InChIKey is MKLZUNBEYJOLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-3-8(12-14-5-6-18-12)15-11-7-9(13)16-10(4-2)17-11/h5-8H,3-4H2,1-2H3,(H3,13,15,16,17).
What are the key properties of 2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine?
2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.64, 5 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-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80941375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).