N,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine

C13H23N5 — CID 114216020

IUPACN,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine
SMILESCNCc1cncnc1N1CCC(N(C)C)CC1
InChIInChI=1S/C13H23N5/c1-14-8-11-9-15-10-16-13(11)18-6-4-12(5-7-18)17(2)3/h9-10,12,14H,4-8H2,1-3H3
InChIKeySEKXGSVHZNCTOH-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.73
Rot. Bonds4

About N,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine

N,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine (PubChem CID 114216020) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine
PubChem CID114216020
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine
SMILESCNCc1cncnc1N1CCC(N(C)C)CC1
InChIInChI=1S/C13H23N5/c1-14-8-11-9-15-10-16-13(11)18-6-4-12(5-7-18)17(2)3/h9-10,12,14H,4-8H2,1-3H3
InChIKeySEKXGSVHZNCTOH-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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine (CID 114216020) is N,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine is CNCc1cncnc1N1CCC(N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine?
The InChIKey is SEKXGSVHZNCTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-14-8-11-9-15-10-16-13(11)18-6-4-12(5-7-18)17(2)3/h9-10,12,14H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine?
N,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-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,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine is sourced from PubChem (CID 114216020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).