N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C16H23ClN4O — CID 110934883

IUPACN-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESClc1cccc(C(CNC2=NCCCN2)N2CCOCC2)c1
InChIInChI=1S/C16H23ClN4O/c17-14-4-1-3-13(11-14)15(21-7-9-22-10-8-21)12-20-16-18-5-2-6-19-16/h1,3-4,11,15H,2,5-10,12H2,(H2,18,19,20)
InChIKeyPAHKQLBGQAUICU-UHFFFAOYSA-N
MW322.84 g/mol
LogP1.65
Rot. Bonds4

About N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110934883) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110934883
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC NameN-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESClc1cccc(C(CNC2=NCCCN2)N2CCOCC2)c1
InChIInChI=1S/C16H23ClN4O/c17-14-4-1-3-13(11-14)15(21-7-9-22-10-8-21)12-20-16-18-5-2-6-19-16/h1,3-4,11,15H,2,5-10,12H2,(H2,18,19,20)
InChIKeyPAHKQLBGQAUICU-UHFFFAOYSA-N
XLogP1.65
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine
CID 95312339
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]propan-2-amine
CID 58948569
3-[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-methylpyrazin-2-one
CID 122142843
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914146
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110915705
4-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
CID 119123498
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110925611
(2S,3R)-N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyloxolan-3-amine
CID 100906281
1-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylguanidine
CID 99845927
(2S)-2-(3-chlorophenyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-2-morpholin-4-ylethanamine
CID 97066602
N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110928130
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51108370

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110934883) is N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is Clc1cccc(C(CNC2=NCCCN2)N2CCOCC2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is PAHKQLBGQAUICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O/c17-14-4-1-3-13(11-14)15(21-7-9-22-10-8-21)12-20-16-18-5-2-6-19-16/h1,3-4,11,15H,2,5-10,12H2,(H2,18,19,20).
What are the key properties of N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 322.84 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110934883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).