N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine

C16H19N3O — CID 62746575

IUPACN-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2nc(C)cc(CNC3CC3)n2)cc1
InChIInChI=1S/C16H19N3O/c1-11-9-14(10-17-13-5-6-13)19-16(18-11)12-3-7-15(20-2)8-4-12/h3-4,7-9,13,17H,5-6,10H2,1-2H3
InChIKeyPUDGXLZQHJBLMQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.71
Rot. Bonds5

About N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine

N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 62746575) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID62746575
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2nc(C)cc(CNC3CC3)n2)cc1
InChIInChI=1S/C16H19N3O/c1-11-9-14(10-17-13-5-6-13)19-16(18-11)12-3-7-15(20-2)8-4-12/h3-4,7-9,13,17H,5-6,10H2,1-2H3
InChIKeyPUDGXLZQHJBLMQ-UHFFFAOYSA-N
XLogP2.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine (CID 62746575) is N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine is COc1ccc(-c2nc(C)cc(CNC3CC3)n2)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is PUDGXLZQHJBLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-9-14(10-17-13-5-6-13)19-16(18-11)12-3-7-15(20-2)8-4-12/h3-4,7-9,13,17H,5-6,10H2,1-2H3.
What are the key properties of N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine?
N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 269.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62746575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).