[3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine

C16H21N5 — CID 107105483

IUPAC[3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
SMILESCc1cccc(CN)c1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H21N5/c1-13-4-2-5-14(12-17)15(13)20-8-10-21(11-9-20)16-18-6-3-7-19-16/h2-7H,8-12,17H2,1H3
InChIKeyNDILAYWMLWWONK-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.57
Rot. Bonds3

About [3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine

[3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine (PubChem CID 107105483) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is [3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
PubChem CID107105483
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name[3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
SMILESCc1cccc(CN)c1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H21N5/c1-13-4-2-5-14(12-17)15(13)20-8-10-21(11-9-20)16-18-6-3-7-19-16/h2-7H,8-12,17H2,1H3
InChIKeyNDILAYWMLWWONK-UHFFFAOYSA-N
XLogP1.57
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine
CID 105388828
[2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine
CID 107105667
1-[2-(aminomethyl)-6-methylphenyl]-1,4-diazepan-5-one
CID 107105692
2-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]aniline
CID 43509117
[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]methanamine
CID 62300156
[3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 82514499
[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 107541514
[4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 43364922
1-(2-ethyl-6-methylphenyl)pyrrolidine
CID 168515642
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methylphenyl]methanamine
CID 107105553
N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108897251
(2-hydroxy-3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 43824625

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of [3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine (CID 107105483) is [3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine is Cc1cccc(CN)c1N1CCN(c2ncccn2)CC1.
What is the InChIKey of [3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is NDILAYWMLWWONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-13-4-2-5-14(12-17)15(13)20-8-10-21(11-9-20)16-18-6-3-7-19-16/h2-7H,8-12,17H2,1H3.
What are the key properties of [3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine?
[3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 283.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 107105483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).