4-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine

C13H18N4S — CID 72869254

IUPAC4-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCc1ccnc(NCCc2csc(C(C)C)n2)n1
InChIInChI=1S/C13H18N4S/c1-9(2)12-17-11(8-18-12)5-7-15-13-14-6-4-10(3)16-13/h4,6,8-9H,5,7H2,1-3H3,(H,14,15,16)
InChIKeyPQAOXOPJKRJZBH-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.02
Rot. Bonds5

About 4-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine

4-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine (PubChem CID 72869254) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
PubChem CID72869254
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCc1ccnc(NCCc2csc(C(C)C)n2)n1
InChIInChI=1S/C13H18N4S/c1-9(2)12-17-11(8-18-12)5-7-15-13-14-6-4-10(3)16-13/h4,6,8-9H,5,7H2,1-3H3,(H,14,15,16)
InChIKeyPQAOXOPJKRJZBH-UHFFFAOYSA-N
XLogP3.02
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine (CID 72869254) is 4-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine is Cc1ccnc(NCCc2csc(C(C)C)n2)n1.
What is the InChIKey of 4-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The InChIKey is PQAOXOPJKRJZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9(2)12-17-11(8-18-12)5-7-15-13-14-6-4-10(3)16-13/h4,6,8-9H,5,7H2,1-3H3,(H,14,15,16).
What are the key properties of 4-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
4-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 72869254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).