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

C12H18N6S — CID 72896949

IUPAC4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine
SMILESCCc1c(C)nc(N)nc1NCCc1csc(N)n1
InChIInChI=1S/C12H18N6S/c1-3-9-7(2)16-11(13)18-10(9)15-5-4-8-6-19-12(14)17-8/h6H,3-5H2,1-2H3,(H2,14,17)(H3,13,15,16,18)
InChIKeyGJWGIWDOVLEOEM-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.62
Rot. Bonds5

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

4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 72896949) has the molecular formula C12H18N6S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine
PubChem CID72896949
Molecular FormulaC12H18N6S
Molecular Weight278.38 g/mol
Exact Mass278.13
IUPAC Name4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine
SMILESCCc1c(C)nc(N)nc1NCCc1csc(N)n1
InChIInChI=1S/C12H18N6S/c1-3-9-7(2)16-11(13)18-10(9)15-5-4-8-6-19-12(14)17-8/h6H,3-5H2,1-2H3,(H2,14,17)(H3,13,15,16,18)
InChIKeyGJWGIWDOVLEOEM-UHFFFAOYSA-N
XLogP1.62
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine (CID 72896949) is 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine is CCc1c(C)nc(N)nc1NCCc1csc(N)n1.
What is the InChIKey of 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is GJWGIWDOVLEOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/c1-3-9-7(2)16-11(13)18-10(9)15-5-4-8-6-19-12(14)17-8/h6H,3-5H2,1-2H3,(H2,14,17)(H3,13,15,16,18).
What are the key properties of 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine?
4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 278.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 72896949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).