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

C15H20N6 — CID 81250152

IUPACN-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine
SMILESCNCc1cnccc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H20N6/c1-16-11-13-12-17-6-3-14(13)20-7-9-21(10-8-20)15-18-4-2-5-19-15/h2-6,12,16H,7-11H2,1H3
InChIKeyRGGOSVMCOXRKLI-UHFFFAOYSA-N
MW284.37 g/mol
LogP0.92
Rot. Bonds4

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

N-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine (PubChem CID 81250152) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is N-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine
PubChem CID81250152
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC NameN-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine
SMILESCNCc1cnccc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H20N6/c1-16-11-13-12-17-6-3-14(13)20-7-9-21(10-8-20)15-18-4-2-5-19-15/h2-6,12,16H,7-11H2,1H3
InChIKeyRGGOSVMCOXRKLI-UHFFFAOYSA-N
XLogP0.92
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 130643019
1-[4-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81249384
N-methyl-1-[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-pyridinyl]methanamine
CID 81248268
1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81247515
1-[4-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine
CID 81246265
1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 130877424
N-methyl-1-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81248115
N-methyl-1-[3-(4-methylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 105072597
1-[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81248353
N-methyl-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81247363
N-[(4-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 81248447
N-methyl-1-[4-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methanamine
CID 81248470

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine (CID 81250152) is N-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine is CNCc1cnccc1N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is RGGOSVMCOXRKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-16-11-13-12-17-6-3-14(13)20-7-9-21(10-8-20)15-18-4-2-5-19-15/h2-6,12,16H,7-11H2,1H3.
What are the key properties of N-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine?
N-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 284.37 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81250152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).