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

C16H21N5O — CID 110094509

IUPACN-methyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine
SMILESCNc1cc(CCC2CN(c3ncccn3)CCO2)ccn1
InChIInChI=1S/C16H21N5O/c1-17-15-11-13(5-8-18-15)3-4-14-12-21(9-10-22-14)16-19-6-2-7-20-16/h2,5-8,11,14H,3-4,9-10,12H2,1H3,(H,17,18)
InChIKeyKHECJXAXKNCUQS-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.75
Rot. Bonds5

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

N-methyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine (PubChem CID 110094509) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-methyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine
PubChem CID110094509
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-methyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine
SMILESCNc1cc(CCC2CN(c3ncccn3)CCO2)ccn1
InChIInChI=1S/C16H21N5O/c1-17-15-11-13(5-8-18-15)3-4-14-12-21(9-10-22-14)16-19-6-2-7-20-16/h2,5-8,11,14H,3-4,9-10,12H2,1H3,(H,17,18)
InChIKeyKHECJXAXKNCUQS-UHFFFAOYSA-N
XLogP1.75
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of N-methyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine (CID 110094509) is N-methyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for N-methyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine is CNc1cc(CCC2CN(c3ncccn3)CCO2)ccn1.
What is the InChIKey of N-methyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine?
The InChIKey is KHECJXAXKNCUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-17-15-11-13(5-8-18-15)3-4-14-12-21(9-10-22-14)16-19-6-2-7-20-16/h2,5-8,11,14H,3-4,9-10,12H2,1H3,(H,17,18).
What are the key properties of N-methyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine?
N-methyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine has a molecular weight of 299.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 110094509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).