N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine

C12H11F2N3O — CID 66327229

IUPACN-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCc2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C12H11F2N3O/c1-18-12-5-11(16-7-17-12)15-6-8-2-3-9(13)10(14)4-8/h2-5,7H,6H2,1H3,(H,15,16,17)
InChIKeyKQDRNHWLGNWWCB-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.38
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine

N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine (PubChem CID 66327229) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine
PubChem CID66327229
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCc2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C12H11F2N3O/c1-18-12-5-11(16-7-17-12)15-6-8-2-3-9(13)10(14)4-8/h2-5,7H,6H2,1H3,(H,15,16,17)
InChIKeyKQDRNHWLGNWWCB-UHFFFAOYSA-N
XLogP2.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 54966097
4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80805369
N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine
CID 66327634
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzoic acid
CID 66320083
6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine
CID 134116375
N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66324768
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide
CID 50983438
5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine
CID 115773984
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66326603
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859178
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine (CID 66327229) is N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine is COc1cc(NCc2ccc(F)c(F)c2)ncn1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine?
The InChIKey is KQDRNHWLGNWWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-18-12-5-11(16-7-17-12)15-6-8-2-3-9(13)10(14)4-8/h2-5,7H,6H2,1H3,(H,15,16,17).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine?
N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine has a molecular weight of 251.24 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 66327229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).