N-benzyl-1-(6-methoxypyrimidin-4-yl)propan-2-amine

C15H19N3O — CID 122155881

IUPACN-benzyl-1-(6-methoxypyrimidin-4-yl)propan-2-amine
SMILESCOc1cc(CC(C)NCc2ccccc2)ncn1
InChIInChI=1S/C15H19N3O/c1-12(16-10-13-6-4-3-5-7-13)8-14-9-15(19-2)18-11-17-14/h3-7,9,11-12,16H,8,10H2,1-2H3
InChIKeyHWIRVDONBRTFFH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.21
Rot. Bonds6

About N-benzyl-1-(6-methoxypyrimidin-4-yl)propan-2-amine

N-benzyl-1-(6-methoxypyrimidin-4-yl)propan-2-amine (PubChem CID 122155881) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-benzyl-1-(6-methoxypyrimidin-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-benzyl-1-(6-methoxypyrimidin-4-yl)propan-2-amine
PubChem CID122155881
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-benzyl-1-(6-methoxypyrimidin-4-yl)propan-2-amine
SMILESCOc1cc(CC(C)NCc2ccccc2)ncn1
InChIInChI=1S/C15H19N3O/c1-12(16-10-13-6-4-3-5-7-13)8-14-9-15(19-2)18-11-17-14/h3-7,9,11-12,16H,8,10H2,1-2H3
InChIKeyHWIRVDONBRTFFH-UHFFFAOYSA-N
XLogP2.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(6-methoxypyrimidin-4-yl)propan-2-amine?
The IUPAC name of N-benzyl-1-(6-methoxypyrimidin-4-yl)propan-2-amine (CID 122155881) is N-benzyl-1-(6-methoxypyrimidin-4-yl)propan-2-amine.
What is the SMILES notation for N-benzyl-1-(6-methoxypyrimidin-4-yl)propan-2-amine?
The canonical SMILES for N-benzyl-1-(6-methoxypyrimidin-4-yl)propan-2-amine is COc1cc(CC(C)NCc2ccccc2)ncn1.
What is the InChIKey of N-benzyl-1-(6-methoxypyrimidin-4-yl)propan-2-amine?
The InChIKey is HWIRVDONBRTFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(16-10-13-6-4-3-5-7-13)8-14-9-15(19-2)18-11-17-14/h3-7,9,11-12,16H,8,10H2,1-2H3.
What are the key properties of N-benzyl-1-(6-methoxypyrimidin-4-yl)propan-2-amine?
N-benzyl-1-(6-methoxypyrimidin-4-yl)propan-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(6-methoxypyrimidin-4-yl)propan-2-amine is sourced from PubChem (CID 122155881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).