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

C16H19ClN4O — CID 3234098

IUPAC2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESClc1ccccc1-c1nccc(NCCN2CCOCC2)n1
InChIInChI=1S/C16H19ClN4O/c17-14-4-2-1-3-13(14)16-19-6-5-15(20-16)18-7-8-21-9-11-22-12-10-21/h1-6H,7-12H2,(H,18,19,20)
InChIKeyIXXGHQIWFRZYAB-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.54
Rot. Bonds5

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

2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 3234098) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID3234098
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESClc1ccccc1-c1nccc(NCCN2CCOCC2)n1
InChIInChI=1S/C16H19ClN4O/c17-14-4-2-1-3-13(14)16-19-6-5-15(20-16)18-7-8-21-9-11-22-12-10-21/h1-6H,7-12H2,(H,18,19,20)
InChIKeyIXXGHQIWFRZYAB-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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Related Compounds

2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887432
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882667
4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol
CID 137306843
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887299
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887471
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6473098
4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887567
2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887341
2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
CID 28774944
6-chloro-2-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 80935880

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (CID 3234098) is 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is Clc1ccccc1-c1nccc(NCCN2CCOCC2)n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is IXXGHQIWFRZYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c17-14-4-2-1-3-13(14)16-19-6-5-15(20-16)18-7-8-21-9-11-22-12-10-21/h1-6H,7-12H2,(H,18,19,20).
What are the key properties of 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
2-(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 2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 3234098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).