N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine

C15H22N4S — CID 135116875

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1cnc(C)nc1NCc1sc(C)nc1CC
InChIInChI=1S/C15H22N4S/c1-5-7-12-8-16-10(3)18-15(12)17-9-14-13(6-2)19-11(4)20-14/h8H,5-7,9H2,1-4H3,(H,16,17,18)
InChIKeyGAXPUXVVNNETJP-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.68
Rot. Bonds6

About N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine (PubChem CID 135116875) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine
PubChem CID135116875
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1cnc(C)nc1NCc1sc(C)nc1CC
InChIInChI=1S/C15H22N4S/c1-5-7-12-8-16-10(3)18-15(12)17-9-14-13(6-2)19-11(4)20-14/h8H,5-7,9H2,1-4H3,(H,16,17,18)
InChIKeyGAXPUXVVNNETJP-UHFFFAOYSA-N
XLogP3.68
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine (CID 135116875) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine is CCCc1cnc(C)nc1NCc1sc(C)nc1CC.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine?
The InChIKey is GAXPUXVVNNETJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-5-7-12-8-16-10(3)18-15(12)17-9-14-13(6-2)19-11(4)20-14/h8H,5-7,9H2,1-4H3,(H,16,17,18).
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine has a molecular weight of 290.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 135116875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).