N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine

C16H19ClN4O — CID 95312339

IUPACN-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine
SMILESClc1cccc([C@@H](CNc2ncccn2)N2CCOCC2)c1
InChIInChI=1S/C16H19ClN4O/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/h1-6,11,15H,7-10,12H2,(H,18,19,20)/t15-/m1/s1
InChIKeyZXNFUXMPPYLNLK-OAHLLOKOSA-N
MW318.81 g/mol
LogP2.62
Rot. Bonds5

About N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine

N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine (PubChem CID 95312339) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine
PubChem CID95312339
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine
SMILESClc1cccc([C@@H](CNc2ncccn2)N2CCOCC2)c1
InChIInChI=1S/C16H19ClN4O/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/h1-6,11,15H,7-10,12H2,(H,18,19,20)/t15-/m1/s1
InChIKeyZXNFUXMPPYLNLK-OAHLLOKOSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110934883
3-[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-methylpyrazin-2-one
CID 122142843
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]propan-2-amine
CID 58948569
1-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylguanidine
CID 99845927
(2S,3R)-N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyloxolan-3-amine
CID 100906281
(2S)-2-(3-chlorophenyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-2-morpholin-4-ylethanamine
CID 97066602
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221324
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide
CID 86882802
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51108370
4-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
CID 119123498
1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea
CID 95315480
1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111953833

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine?
The IUPAC name of N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine (CID 95312339) is N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine?
The canonical SMILES for N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine is Clc1cccc([C@@H](CNc2ncccn2)N2CCOCC2)c1.
What is the InChIKey of N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine?
The InChIKey is ZXNFUXMPPYLNLK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19ClN4O/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/h1-6,11,15H,7-10,12H2,(H,18,19,20)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine?
N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine has a molecular weight of 318.81 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine is sourced from PubChem (CID 95312339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).