N,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine

C17H23N5O — CID 110114051

IUPACN,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine
SMILESCN(C)c1cc(CCC2CN(c3ncccn3)CCO2)ccn1
InChIInChI=1S/C17H23N5O/c1-21(2)16-12-14(6-9-18-16)4-5-15-13-22(10-11-23-15)17-19-7-3-8-20-17/h3,6-9,12,15H,4-5,10-11,13H2,1-2H3
InChIKeyXHCPRSDHYVAZEN-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.78
Rot. Bonds5

About N,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine

N,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine (PubChem CID 110114051) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine
PubChem CID110114051
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine
SMILESCN(C)c1cc(CCC2CN(c3ncccn3)CCO2)ccn1
InChIInChI=1S/C17H23N5O/c1-21(2)16-12-14(6-9-18-16)4-5-15-13-22(10-11-23-15)17-19-7-3-8-20-17/h3,6-9,12,15H,4-5,10-11,13H2,1-2H3
InChIKeyXHCPRSDHYVAZEN-UHFFFAOYSA-N
XLogP1.78
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine (CID 110114051) is N,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine is CN(C)c1cc(CCC2CN(c3ncccn3)CCO2)ccn1.
What is the InChIKey of N,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine?
The InChIKey is XHCPRSDHYVAZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-21(2)16-12-14(6-9-18-16)4-5-15-13-22(10-11-23-15)17-19-7-3-8-20-17/h3,6-9,12,15H,4-5,10-11,13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine?
N,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine has a molecular weight of 313.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 110114051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).