N-ethyl-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine

C13H18N4OS — CID 55120816

IUPACN-ethyl-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(Cc2nc(C)cs2)n1
InChIInChI=1S/C13H18N4OS/c1-4-14-11-5-10(7-18-3)16-12(17-11)6-13-15-9(2)8-19-13/h5,8H,4,6-7H2,1-3H3,(H,14,16,17)
InChIKeyIBUKDOZTWJYBFG-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.41
Rot. Bonds6

About N-ethyl-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine

N-ethyl-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 55120816) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-ethyl-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID55120816
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-ethyl-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(Cc2nc(C)cs2)n1
InChIInChI=1S/C13H18N4OS/c1-4-14-11-5-10(7-18-3)16-12(17-11)6-13-15-9(2)8-19-13/h5,8H,4,6-7H2,1-3H3,(H,14,16,17)
InChIKeyIBUKDOZTWJYBFG-UHFFFAOYSA-N
XLogP2.41
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-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-ethyl-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine (CID 55120816) is N-ethyl-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine is CCNc1cc(COC)nc(Cc2nc(C)cs2)n1.
What is the InChIKey of N-ethyl-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is IBUKDOZTWJYBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-4-14-11-5-10(7-18-3)16-12(17-11)6-13-15-9(2)8-19-13/h5,8H,4,6-7H2,1-3H3,(H,14,16,17).
What are the key properties of N-ethyl-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
N-ethyl-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 278.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 55120816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).