N-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine

C14H16ClN3O — CID 66324628

IUPACN-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine
SMILESCCOc1cc(NCc2ccccc2Cl)nc(C)n1
InChIInChI=1S/C14H16ClN3O/c1-3-19-14-8-13(17-10(2)18-14)16-9-11-6-4-5-7-12(11)15/h4-8H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyDOWZSGCFFLWZRX-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.45
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine

N-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine (PubChem CID 66324628) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine
PubChem CID66324628
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC NameN-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine
SMILESCCOc1cc(NCc2ccccc2Cl)nc(C)n1
InChIInChI=1S/C14H16ClN3O/c1-3-19-14-8-13(17-10(2)18-14)16-9-11-6-4-5-7-12(11)15/h4-8H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyDOWZSGCFFLWZRX-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-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-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine (CID 66324628) is N-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine is CCOc1cc(NCc2ccccc2Cl)nc(C)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine?
The InChIKey is DOWZSGCFFLWZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-19-14-8-13(17-10(2)18-14)16-9-11-6-4-5-7-12(11)15/h4-8H,3,9H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine?
N-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66324628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).