N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine

C13H23N5 — CID 114216274

IUPACN-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine
SMILESCNCc1cncnc1N(C)C1CCCN(C)C1
InChIInChI=1S/C13H23N5/c1-14-7-11-8-15-10-16-13(11)18(3)12-5-4-6-17(2)9-12/h8,10,12,14H,4-7,9H2,1-3H3
InChIKeyADQXHNKPTPXUOF-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.73
Rot. Bonds4

About N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine

N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine (PubChem CID 114216274) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine
PubChem CID114216274
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine
SMILESCNCc1cncnc1N(C)C1CCCN(C)C1
InChIInChI=1S/C13H23N5/c1-14-7-11-8-15-10-16-13(11)18(3)12-5-4-6-17(2)9-12/h8,10,12,14H,4-7,9H2,1-3H3
InChIKeyADQXHNKPTPXUOF-UHFFFAOYSA-N
XLogP0.73
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 105389734
[4-[cyclobutyl(methyl)amino]pyrimidin-5-yl]methanol
CID 126974271
N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 114216347
6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-5-propylpyrimidin-4-amine
CID 63729519
N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine
CID 62547013
N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-5-amine
CID 62547182
N,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine
CID 114216020
5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 114216043
3-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyrazin-2-amine
CID 62673591
N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine
CID 114216445
6-hydrazinyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80919618
5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 114215986

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine?
The IUPAC name of N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine (CID 114216274) is N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine is CNCc1cncnc1N(C)C1CCCN(C)C1.
What is the InChIKey of N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine?
The InChIKey is ADQXHNKPTPXUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-14-7-11-8-15-10-16-13(11)18(3)12-5-4-6-17(2)9-12/h8,10,12,14H,4-7,9H2,1-3H3.
What are the key properties of N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine?
N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 114216274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).