5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

C16H19ClN4O — CID 3233875

IUPAC5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESClc1ccccc1-c1cncnc1NCCN1CCOCC1
InChIInChI=1S/C16H19ClN4O/c17-15-4-2-1-3-13(15)14-11-18-12-20-16(14)19-5-6-21-7-9-22-10-8-21/h1-4,11-12H,5-10H2,(H,18,19,20)
InChIKeyYZFYAPUFIQYGHQ-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.54
Rot. Bonds5

About 5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 3233875) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID3233875
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESClc1ccccc1-c1cncnc1NCCN1CCOCC1
InChIInChI=1S/C16H19ClN4O/c17-15-4-2-1-3-13(15)14-11-18-12-20-16(14)19-5-6-21-7-9-22-10-8-21/h1-4,11-12H,5-10H2,(H,18,19,20)
InChIKeyYZFYAPUFIQYGHQ-UHFFFAOYSA-N
XLogP2.54
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (CID 3233875) is 5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is Clc1ccccc1-c1cncnc1NCCN1CCOCC1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is YZFYAPUFIQYGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c17-15-4-2-1-3-13(15)14-11-18-12-20-16(14)19-5-6-21-7-9-22-10-8-21/h1-4,11-12H,5-10H2,(H,18,19,20).
What are the key properties of 5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 318.81 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 3233875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).