N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine

C12H11ClFN3O — CID 103293215

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine
SMILESCOc1cccc(Cl)c1CNc1cc(F)ncn1
InChIInChI=1S/C12H11ClFN3O/c1-18-10-4-2-3-9(13)8(10)6-15-12-5-11(14)16-7-17-12/h2-5,7H,6H2,1H3,(H,15,16,17)
InChIKeyUWNAHPNSAZMVHE-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.89
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine (PubChem CID 103293215) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine
PubChem CID103293215
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine
SMILESCOc1cccc(Cl)c1CNc1cc(F)ncn1
InChIInChI=1S/C12H11ClFN3O/c1-18-10-4-2-3-9(13)8(10)6-15-12-5-11(14)16-7-17-12/h2-5,7H,6H2,1H3,(H,15,16,17)
InChIKeyUWNAHPNSAZMVHE-UHFFFAOYSA-N
XLogP2.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136782374
6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
CID 103293605
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline
CID 104816030
5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
CID 107874949
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 104815678
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 103292944
1-N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103291747
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 104815682
N-[(2-chloro-6-methoxyphenyl)methyl]-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103293681
N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 103293689
N-[(2-chloro-6-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 103292810
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 103292832

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine (CID 103293215) is N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine is COc1cccc(Cl)c1CNc1cc(F)ncn1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine?
The InChIKey is UWNAHPNSAZMVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-18-10-4-2-3-9(13)8(10)6-15-12-5-11(14)16-7-17-12/h2-5,7H,6H2,1H3,(H,15,16,17).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine has a molecular weight of 267.69 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 103293215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).