2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine

C10H13N5S — CID 80934774

IUPAC2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCc2cscn2)n1
InChIInChI=1S/C10H13N5S/c1-2-9-14-8(11)3-10(15-9)12-4-7-5-16-6-13-7/h3,5-6H,2,4H2,1H3,(H3,11,12,14,15)
InChIKeyFOWBKCRFOADSML-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.69
Rot. Bonds4

About 2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine

2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80934774) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80934774
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCc2cscn2)n1
InChIInChI=1S/C10H13N5S/c1-2-9-14-8(11)3-10(15-9)12-4-7-5-16-6-13-7/h3,5-6H,2,4H2,1H3,(H3,11,12,14,15)
InChIKeyFOWBKCRFOADSML-UHFFFAOYSA-N
XLogP1.69
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine
CID 80942307
6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80949872
2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80934420
2-ethyl-5-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80985493
5-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
CID 83265932
2-ethyl-5-methyl-6-N-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80983690
2-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80941605
2-N-ethyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718546
2-N,6-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845473
2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718545
5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 115914406
2-ethyl-4-N-octylpyrimidine-4,6-diamine
CID 113336788

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine (CID 80934774) is 2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine is CCc1nc(N)cc(NCc2cscn2)n1.
What is the InChIKey of 2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is FOWBKCRFOADSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-2-9-14-8(11)3-10(15-9)12-4-7-5-16-6-13-7/h3,5-6H,2,4H2,1H3,(H3,11,12,14,15).
What are the key properties of 2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 235.32 g/mol, XLogP of 1.69, 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-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80934774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).