4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine

C14H16ClN3O — CID 80859211

IUPAC4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(OCc2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-3-16-14-17-8-10(2)13(18-14)19-9-11-6-4-5-7-12(11)15/h4-8H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyCCRYZMVQEDNKMQ-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.45
Rot. Bonds5

About 4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine

4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine (PubChem CID 80859211) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine
PubChem CID80859211
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(OCc2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-3-16-14-17-8-10(2)13(18-14)19-9-11-6-4-5-7-12(11)15/h4-8H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyCCRYZMVQEDNKMQ-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 ≤ 500277.75
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine
CID 80858949
4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 82826084
5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869054
4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760295
2-[2-(ethylamino)-5-methylpyrimidin-4-yl]oxyethanol
CID 80859751
N-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine
CID 80859942
N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388463
N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine
CID 113427596
4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine
CID 80973545
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80809188
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80802333

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine (CID 80859211) is 4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine is CCNc1ncc(C)c(OCc2ccccc2Cl)n1.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine?
The InChIKey is CCRYZMVQEDNKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-16-14-17-8-10(2)13(18-14)19-9-11-6-4-5-7-12(11)15/h4-8H,3,9H2,1-2H3,(H,16,17,18).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine?
4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine has a molecular weight of 277.75 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 4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80859211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).