6-[(2-chlorophenyl)methoxy]-N-propylpyrimidin-4-amine

C14H16ClN3O — CID 80858147

IUPAC6-[(2-chlorophenyl)methoxy]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCc2ccccc2Cl)ncn1
InChIInChI=1S/C14H16ClN3O/c1-2-7-16-13-8-14(18-10-17-13)19-9-11-5-3-4-6-12(11)15/h3-6,8,10H,2,7,9H2,1H3,(H,16,17,18)
InChIKeyXWMKSUPDIRJYNI-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.53
Rot. Bonds6

About 6-[(2-chlorophenyl)methoxy]-N-propylpyrimidin-4-amine

6-[(2-chlorophenyl)methoxy]-N-propylpyrimidin-4-amine (PubChem CID 80858147) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methoxy]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methoxy]-N-propylpyrimidin-4-amine
PubChem CID80858147
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name6-[(2-chlorophenyl)methoxy]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCc2ccccc2Cl)ncn1
InChIInChI=1S/C14H16ClN3O/c1-2-7-16-13-8-14(18-10-17-13)19-9-11-5-3-4-6-12(11)15/h3-6,8,10H,2,7,9H2,1H3,(H,16,17,18)
InChIKeyXWMKSUPDIRJYNI-UHFFFAOYSA-N
XLogP3.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine
CID 82825468
6-(2-methylpropoxy)-N-propylpyrimidin-4-amine
CID 80860454
6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 82717955
4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 80784844
3-[(2-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
CID 62465145
N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine
CID 66329980
6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80875228
4-N-[(2-chlorophenyl)methyl]-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112859886
2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80862938
4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine
CID 19135528
6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine
CID 66328382
1-[5-chloro-2-[(2-chlorophenyl)methoxy]-4-pyridinyl]-N-methylmethanamine
CID 114927670

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methoxy]-N-propylpyrimidin-4-amine?
The IUPAC name of 6-[(2-chlorophenyl)methoxy]-N-propylpyrimidin-4-amine (CID 80858147) is 6-[(2-chlorophenyl)methoxy]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2-chlorophenyl)methoxy]-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(2-chlorophenyl)methoxy]-N-propylpyrimidin-4-amine is CCCNc1cc(OCc2ccccc2Cl)ncn1.
What is the InChIKey of 6-[(2-chlorophenyl)methoxy]-N-propylpyrimidin-4-amine?
The InChIKey is XWMKSUPDIRJYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-2-7-16-13-8-14(18-10-17-13)19-9-11-5-3-4-6-12(11)15/h3-6,8,10H,2,7,9H2,1H3,(H,16,17,18).
What are the key properties of 6-[(2-chlorophenyl)methoxy]-N-propylpyrimidin-4-amine?
6-[(2-chlorophenyl)methoxy]-N-propylpyrimidin-4-amine has a molecular weight of 277.75 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methoxy]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80858147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).