2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine

C15H16ClFN4O — CID 124619849

IUPAC2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine
SMILESNc1ccnc(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1
InChIInChI=1S/C15H16ClFN4O/c16-12-7-10(17)1-2-11(12)13-8-21(5-6-22-13)9-15-19-4-3-14(18)20-15/h1-4,7,13H,5-6,8-9H2,(H2,18,19,20)/t13-/m1/s1
InChIKeyJSVVGTGEPKGHKM-CYBMUJFWSA-N
MW322.77 g/mol
LogP2.42
Rot. Bonds3

About 2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine

2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine (PubChem CID 124619849) has the molecular formula C15H16ClFN4O and a molecular weight of 322.77 g/mol. Its IUPAC name is 2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine
PubChem CID124619849
Molecular FormulaC15H16ClFN4O
Molecular Weight322.77 g/mol
Exact Mass322.10
IUPAC Name2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine
SMILESNc1ccnc(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1
InChIInChI=1S/C15H16ClFN4O/c16-12-7-10(17)1-2-11(12)13-8-21(5-6-22-13)9-15-19-4-3-14(18)20-15/h1-4,7,13H,5-6,8-9H2,(H2,18,19,20)/t13-/m1/s1
InChIKeyJSVVGTGEPKGHKM-CYBMUJFWSA-N
XLogP2.42
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904693
(2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine
CID 124619828
(2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine
CID 124619492
(2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 124619834
(2S)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrimidin-4-yl)morpholine
CID 124962421
5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
CID 154746798
6-[(2S)-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]pyridin-2-amine
CID 124983603
(2R)-2-(2-chloro-4-fluorophenyl)-4-(2-ethylsulfonylethyl)morpholine
CID 124619802
4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine
CID 86884183
6-[(2S)-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]pyridin-2-amine
CID 125021683
(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316109
4-[(3-fluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 110270812

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine (CID 124619849) is 2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine is Nc1ccnc(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1.
What is the InChIKey of 2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is JSVVGTGEPKGHKM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16ClFN4O/c16-12-7-10(17)1-2-11(12)13-8-21(5-6-22-13)9-15-19-4-3-14(18)20-15/h1-4,7,13H,5-6,8-9H2,(H2,18,19,20)/t13-/m1/s1.
What are the key properties of 2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine?
2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 322.77 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 124619849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).