2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine

C15H18ClN3O — CID 80653921

IUPAC2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(COCc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H18ClN3O/c1-3-17-14-8-11(2)18-15(19-14)10-20-9-12-4-6-13(16)7-5-12/h4-8H,3,9-10H2,1-2H3,(H,17,18,19)
InChIKeyKIFUGKSYPXINAG-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.59
Rot. Bonds6

About 2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine

2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 80653921) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID80653921
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(COCc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H18ClN3O/c1-3-17-14-8-11(2)18-15(19-14)10-20-9-12-4-6-13(16)7-5-12/h4-8H,3,9-10H2,1-2H3,(H,17,18,19)
InChIKeyKIFUGKSYPXINAG-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine
CID 80654123
N-ethyl-2-(heptoxymethyl)-6-methylpyrimidin-4-amine
CID 80654218
2-[(dimethylamino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 79089446
N-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine
CID 80654217
2-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 62191071
N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine
CID 133390142
4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine
CID 80939872
N-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine
CID 80654868
2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80654684
2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80654658
2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 63484706
6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine
CID 82831291

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine (CID 80653921) is 2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(COCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is KIFUGKSYPXINAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-17-14-8-11(2)18-15(19-14)10-20-9-12-4-6-13(16)7-5-12/h4-8H,3,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine?
2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 291.78 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80653921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).