2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine

C16H19ClN4O — CID 124621384

IUPAC2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine
SMILESC[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1nccc(N)n1
InChIInChI=1S/C16H19ClN4O/c1-11-10-22-14(12-3-2-4-13(17)7-12)8-21(11)9-16-19-6-5-15(18)20-16/h2-7,11,14H,8-10H2,1H3,(H2,18,19,20)/t11-,14-/m0/s1
InChIKeyXVLHSPHTCFKDIL-FZMZJTMJSA-N
MW318.81 g/mol
LogP2.67
Rot. Bonds3

About 2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine

2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine (PubChem CID 124621384) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine
PubChem CID124621384
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine
SMILESC[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1nccc(N)n1
InChIInChI=1S/C16H19ClN4O/c1-11-10-22-14(12-3-2-4-13(17)7-12)8-21(11)9-16-19-6-5-15(18)20-16/h2-7,11,14H,8-10H2,1H3,(H2,18,19,20)/t11-,14-/m0/s1
InChIKeyXVLHSPHTCFKDIL-FZMZJTMJSA-N
XLogP2.67
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine
CID 99828049
(2R,5R)-2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 99828071
(2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine
CID 99828055
(2S,5S)-2-(3-chlorophenyl)-5-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine
CID 125138246
2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine
CID 167753282
(2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol
CID 124621379
4-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 167954533
2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine
CID 122147461
2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine
CID 124576011
1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
CID 124619075
1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
CID 124619076
(2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
CID 99825537

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine (CID 124621384) is 2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine is C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1nccc(N)n1.
What is the InChIKey of 2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is XVLHSPHTCFKDIL-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-11-10-22-14(12-3-2-4-13(17)7-12)8-21(11)9-16-19-6-5-15(18)20-16/h2-7,11,14H,8-10H2,1H3,(H2,18,19,20)/t11-,14-/m0/s1.
What are the key properties of 2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine?
2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 318.81 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 124621384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).