N-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

C16H21N5O — CID 112886568

IUPACN-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCN(CCc1ccncc1)c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C16H21N5O/c1-20(9-5-14-2-6-17-7-3-14)15-4-8-18-16(19-15)21-10-12-22-13-11-21/h2-4,6-8H,5,9-13H2,1H3
InChIKeyIHFRJJLQJJWSKC-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.39
Rot. Bonds5

About N-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

N-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (PubChem CID 112886568) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
PubChem CID112886568
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCN(CCc1ccncc1)c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C16H21N5O/c1-20(9-5-14-2-6-17-7-3-14)15-4-8-18-16(19-15)21-10-12-22-13-11-21/h2-4,6-8H,5,9-13H2,1H3
InChIKeyIHFRJJLQJJWSKC-UHFFFAOYSA-N
XLogP1.39
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (CID 112886568) is N-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is CN(CCc1ccncc1)c1ccnc(N2CCOCC2)n1.
What is the InChIKey of N-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is IHFRJJLQJJWSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20(9-5-14-2-6-17-7-3-14)15-4-8-18-16(19-15)21-10-12-22-13-11-21/h2-4,6-8H,5,9-13H2,1H3.
What are the key properties of N-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
N-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 299.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 112886568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).