2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine

C11H10ClN3O — CID 65127178

IUPAC2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
SMILESNc1cnc(OCc2cccc(Cl)c2)nc1
InChIInChI=1S/C11H10ClN3O/c12-9-3-1-2-8(4-9)7-16-11-14-5-10(13)6-15-11/h1-6H,7,13H2
InChIKeyIMNWDESGIKDODS-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.29
Rot. Bonds3

About 2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine

2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine (PubChem CID 65127178) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
PubChem CID65127178
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
SMILESNc1cnc(OCc2cccc(Cl)c2)nc1
InChIInChI=1S/C11H10ClN3O/c12-9-3-1-2-8(4-9)7-16-11-14-5-10(13)6-15-11/h1-6H,7,13H2
InChIKeyIMNWDESGIKDODS-UHFFFAOYSA-N
XLogP2.29
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[(3-chlorophenyl)methoxy]pyridine-3-carboxamide
CID 65127179
2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 114044146
4-[(3-chlorophenyl)methoxy]pyridin-3-amine
CID 65126775
5-chloro-2-[(3-chlorophenyl)methoxy]pyridine
CID 66232556
2-[(3-chlorophenyl)methoxy]-5-methylpyridin-3-amine
CID 66279132
4-[(3-chlorophenyl)methoxy]-3-iodoaniline
CID 66095443
6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine
CID 114073469
2-[(3-chlorophenyl)methoxy]-6-methylaniline
CID 43438078
2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
CID 104831215
3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline
CID 80747976
5-bromo-2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidine
CID 79075950
2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine
CID 62538240

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine (CID 65127178) is 2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine is Nc1cnc(OCc2cccc(Cl)c2)nc1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine?
The InChIKey is IMNWDESGIKDODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-9-3-1-2-8(4-9)7-16-11-14-5-10(13)6-15-11/h1-6H,7,13H2.
What are the key properties of 2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine?
2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine has a molecular weight of 235.67 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine is sourced from PubChem (CID 65127178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).