2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine

C15H18ClN3O — CID 62320406

IUPAC2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C15H18ClN3O/c1-3-17-14-9-13(10-20-2)18-15(19-14)8-11-5-4-6-12(16)7-11/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19)
InChIKeySRYJYSRWAICCIF-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.30
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine

2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 62320406) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID62320406
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C15H18ClN3O/c1-3-17-14-9-13(10-20-2)18-15(19-14)8-11-5-4-6-12(16)7-11/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19)
InChIKeySRYJYSRWAICCIF-UHFFFAOYSA-N
XLogP3.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63486808
2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62320410
6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62319868
[2-[(4-chlorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 62320322
6-(methoxymethyl)-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 62552293
2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 79412373
N-ethyl-6-(methoxymethyl)-2-(2-methylpropyl)pyrimidin-4-amine
CID 62319502
2-benzyl-N-ethyl-6-propylpyrimidin-4-amine
CID 62192157
2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62319495
2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 62192554
6-(methoxymethyl)-N-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 55086950
N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62745702

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine (CID 62320406) is 2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine is CCNc1cc(COC)nc(Cc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is SRYJYSRWAICCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-17-14-9-13(10-20-2)18-15(19-14)8-11-5-4-6-12(16)7-11/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 291.78 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 62320406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).