N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine

C12H21N5 — CID 62742082

IUPACN-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine
SMILESCNCc1cc(C)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H21N5/c1-10-8-11(9-13-2)15-12(14-10)17-6-4-16(3)5-7-17/h8,13H,4-7,9H2,1-3H3
InChIKeyNKNKQBOHPYMIFA-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.26
Rot. Bonds3

About N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine

N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine (PubChem CID 62742082) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine
PubChem CID62742082
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine
SMILESCNCc1cc(C)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H21N5/c1-10-8-11(9-13-2)15-12(14-10)17-6-4-16(3)5-7-17/h8,13H,4-7,9H2,1-3H3
InChIKeyNKNKQBOHPYMIFA-UHFFFAOYSA-N
XLogP0.26
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]ethanamine
CID 55114763
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114190
6-methyl-2-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 62191776
4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135978265
N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 55114380
4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 62745550
[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541533
[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 107541514
N-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine
CID 62190556
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 126817901
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
4-methyl-6-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpyrimidine
CID 99980092

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine (CID 62742082) is N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine is CNCc1cc(C)nc(N2CCN(C)CC2)n1.
What is the InChIKey of N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine?
The InChIKey is NKNKQBOHPYMIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-10-8-11(9-13-2)15-12(14-10)17-6-4-16(3)5-7-17/h8,13H,4-7,9H2,1-3H3.
What are the key properties of N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine?
N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 62742082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).