N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine

C15H17N3O — CID 62755519

IUPACN-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCOc1cccc(-c2ncc(CNC3CC3)cn2)c1
InChIInChI=1S/C15H17N3O/c1-19-14-4-2-3-12(7-14)15-17-9-11(10-18-15)8-16-13-5-6-13/h2-4,7,9-10,13,16H,5-6,8H2,1H3
InChIKeyTZHOPLRTUQZQNP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.40
Rot. Bonds5

About N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 62755519) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID62755519
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCOc1cccc(-c2ncc(CNC3CC3)cn2)c1
InChIInChI=1S/C15H17N3O/c1-19-14-4-2-3-12(7-14)15-17-9-11(10-18-15)8-16-13-5-6-13/h2-4,7,9-10,13,16H,5-6,8H2,1H3
InChIKeyTZHOPLRTUQZQNP-UHFFFAOYSA-N
XLogP2.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
CID 62756229
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53272487
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
2-(3-methoxyphenyl)-N-methylpyrimidin-5-amine
CID 83886658
N-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288587
N-[[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 61281749
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile
CID 115150172
N-[[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 115568435
1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine
CID 117231190
N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61032671
N-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine
CID 175646894

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine (CID 62755519) is N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine is COc1cccc(-c2ncc(CNC3CC3)cn2)c1.
What is the InChIKey of N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is TZHOPLRTUQZQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-19-14-4-2-3-12(7-14)15-17-9-11(10-18-15)8-16-13-5-6-13/h2-4,7,9-10,13,16H,5-6,8H2,1H3.
What are the key properties of N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 255.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62755519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).