[3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone

C17H19ClN4O2 — CID 97220547

IUPAC[3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cccc(CNc3ncc(Cl)cn3)c2)CCO1
InChIInChI=1S/C17H19ClN4O2/c1-12-11-22(5-6-24-12)16(23)14-4-2-3-13(7-14)8-19-17-20-9-15(18)10-21-17/h2-4,7,9-10,12H,5-6,8,11H2,1H3,(H,19,20,21)/t12-/m0/s1
InChIKeyGJPDSNWMRJLYRR-LBPRGKRZSA-N
MW346.82 g/mol
LogP2.60
Rot. Bonds4

About [3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone

[3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone (PubChem CID 97220547) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is [3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone
PubChem CID97220547
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name[3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cccc(CNc3ncc(Cl)cn3)c2)CCO1
InChIInChI=1S/C17H19ClN4O2/c1-12-11-22(5-6-24-12)16(23)14-4-2-3-13(7-14)8-19-17-20-9-15(18)10-21-17/h2-4,7,9-10,12H,5-6,8,11H2,1H3,(H,19,20,21)/t12-/m0/s1
InChIKeyGJPDSNWMRJLYRR-LBPRGKRZSA-N
XLogP2.60
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-2-enamide
CID 84585787
1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea
CID 110605020
methyl 4-[3-(chloromethyl)benzoyl]morpholine-2-carboxylate
CID 115534248
2,2-dimethyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352930
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
(4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647307
[2-(3-chlorophenyl)morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 122138903
3-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122033836
3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid
CID 122030335
3-(2-methyl-1,4-oxazepane-4-carbonyl)benzoic acid
CID 62967125
[5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 136582281
2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352926

Frequently Asked Questions

What is the IUPAC name of [3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of [3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone (CID 97220547) is [3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for [3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2cccc(CNc3ncc(Cl)cn3)c2)CCO1.
What is the InChIKey of [3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone?
The InChIKey is GJPDSNWMRJLYRR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-12-11-22(5-6-24-12)16(23)14-4-2-3-13(7-14)8-19-17-20-9-15(18)10-21-17/h2-4,7,9-10,12H,5-6,8,11H2,1H3,(H,19,20,21)/t12-/m0/s1.
What are the key properties of [3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone?
[3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone has a molecular weight of 346.82 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 97220547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).