6-N-ethyl-2,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine

C12H17N5S — CID 80846634

IUPAC6-N-ethyl-2,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NCc2cscn2)c1C
InChIInChI=1S/C12H17N5S/c1-4-13-11-8(2)12(17-9(3)16-11)14-5-10-6-18-7-15-10/h6-7H,4-5H2,1-3H3,(H2,13,14,16,17)
InChIKeySJTOYOAOKXBZCH-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.59
Rot. Bonds5

About 6-N-ethyl-2,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine

6-N-ethyl-2,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80846634) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-N-ethyl-2,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80846634
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name6-N-ethyl-2,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NCc2cscn2)c1C
InChIInChI=1S/C12H17N5S/c1-4-13-11-8(2)12(17-9(3)16-11)14-5-10-6-18-7-15-10/h6-7H,4-5H2,1-3H3,(H2,13,14,16,17)
InChIKeySJTOYOAOKXBZCH-UHFFFAOYSA-N
XLogP2.59
TPSA62.73 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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine (CID 80846634) is 6-N-ethyl-2,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine is CCNc1nc(C)nc(NCc2cscn2)c1C.
What is the InChIKey of 6-N-ethyl-2,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is SJTOYOAOKXBZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-4-13-11-8(2)12(17-9(3)16-11)14-5-10-6-18-7-15-10/h6-7H,4-5H2,1-3H3,(H2,13,14,16,17).
What are the key properties of 6-N-ethyl-2,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
6-N-ethyl-2,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80846634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).