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

C16H20FN3O — CID 82458000

IUPACN-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine
SMILESCOc1cc(NCc2ccc(F)cc2)nc(CC(C)C)n1
InChIInChI=1S/C16H20FN3O/c1-11(2)8-15-19-14(9-16(20-15)21-3)18-10-12-4-6-13(17)7-5-12/h4-7,9,11H,8,10H2,1-3H3,(H,18,19,20)
InChIKeySBNGDXVJJLOQEB-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.43
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 82458000) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine
PubChem CID82458000
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine
SMILESCOc1cc(NCc2ccc(F)cc2)nc(CC(C)C)n1
InChIInChI=1S/C16H20FN3O/c1-11(2)8-15-19-14(9-16(20-15)21-3)18-10-12-4-6-13(17)7-5-12/h4-7,9,11H,8,10H2,1-3H3,(H,18,19,20)
InChIKeySBNGDXVJJLOQEB-UHFFFAOYSA-N
XLogP3.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine
CID 82453845
N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326678
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine
CID 82463263
6-methoxy-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 82457957
6-methoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
CID 82457982
N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine
CID 82453753
6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 82457971
N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82457964
N-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457717
N-[1-(4-fluorophenyl)propan-2-yl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326924
N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine
CID 82457973
6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459523

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine (CID 82458000) is N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine is COc1cc(NCc2ccc(F)cc2)nc(CC(C)C)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is SBNGDXVJJLOQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-11(2)8-15-19-14(9-16(20-15)21-3)18-10-12-4-6-13(17)7-5-12/h4-7,9,11H,8,10H2,1-3H3,(H,18,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 289.35 g/mol, XLogP of 3.43, 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-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 82458000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).