N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine

C14H17N3O — CID 82453753

IUPACN-benzyl-2-ethyl-6-methoxypyrimidin-4-amine
SMILESCCc1nc(NCc2ccccc2)cc(OC)n1
InChIInChI=1S/C14H17N3O/c1-3-12-16-13(9-14(17-12)18-2)15-10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3,(H,15,16,17)
InChIKeyMBLYKEVRRKZFKK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.66
Rot. Bonds5

About N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine

N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine (PubChem CID 82453753) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-ethyl-6-methoxypyrimidin-4-amine
PubChem CID82453753
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-benzyl-2-ethyl-6-methoxypyrimidin-4-amine
SMILESCCc1nc(NCc2ccccc2)cc(OC)n1
InChIInChI=1S/C14H17N3O/c1-3-12-16-13(9-14(17-12)18-2)15-10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3,(H,15,16,17)
InChIKeyMBLYKEVRRKZFKK-UHFFFAOYSA-N
XLogP2.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-chloro-2-ethylpyrimidin-4-amine
CID 80935618
N-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine
CID 82453845
6-methoxy-2-(methoxymethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82456595
N-(2-ethyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82453730
N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458000
[3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232135
2-ethyl-6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 82454039
6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193521
N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326678
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
6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106192890

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine?
The IUPAC name of N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine (CID 82453753) is N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine is CCc1nc(NCc2ccccc2)cc(OC)n1.
What is the InChIKey of N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine?
The InChIKey is MBLYKEVRRKZFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-12-16-13(9-14(17-12)18-2)15-10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3,(H,15,16,17).
What are the key properties of N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine?
N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 82453753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).