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

C15H18FN3O — CID 82453845

IUPACN-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCc2ccc(F)cc2)cc(OC)n1
InChIInChI=1S/C15H18FN3O/c1-3-4-13-18-14(9-15(19-13)20-2)17-10-11-5-7-12(16)8-6-11/h5-9H,3-4,10H2,1-2H3,(H,17,18,19)
InChIKeyIDCFHYGAZHDHDF-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.19
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine (PubChem CID 82453845) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine
PubChem CID82453845
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCc2ccc(F)cc2)cc(OC)n1
InChIInChI=1S/C15H18FN3O/c1-3-4-13-18-14(9-15(19-13)20-2)17-10-11-5-7-12(16)8-6-11/h5-9H,3-4,10H2,1-2H3,(H,17,18,19)
InChIKeyIDCFHYGAZHDHDF-UHFFFAOYSA-N
XLogP3.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458000
N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326678
N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine
CID 82453753
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80939677
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80940455
N-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457717
6-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80778027
N-ethyl-6-(2-methoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80944699
4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80954744
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine
CID 80939443
N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331237
N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66325047

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine (CID 82453845) is N-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine is CCCc1nc(NCc2ccc(F)cc2)cc(OC)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine?
The InChIKey is IDCFHYGAZHDHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-3-4-13-18-14(9-15(19-13)20-2)17-10-11-5-7-12(16)8-6-11/h5-9H,3-4,10H2,1-2H3,(H,17,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine is sourced from PubChem (CID 82453845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).