4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine

C15H16Cl2N4O — CID 95175522

IUPAC4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)nc(N)n1
InChIInChI=1S/C15H16Cl2N4O/c1-9-6-14(20-15(18)19-9)21-4-5-22-13(8-21)10-2-3-11(16)12(17)7-10/h2-3,6-7,13H,4-5,8H2,1H3,(H2,18,19,20)/t13-/m1/s1
InChIKeyCOQGDJGJJVLVGR-CYBMUJFWSA-N
MW339.23 g/mol
LogP3.25
Rot. Bonds2

About 4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine

4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine (PubChem CID 95175522) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
PubChem CID95175522
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)nc(N)n1
InChIInChI=1S/C15H16Cl2N4O/c1-9-6-14(20-15(18)19-9)21-4-5-22-13(8-21)10-2-3-11(16)12(17)7-10/h2-3,6-7,13H,4-5,8H2,1H3,(H2,18,19,20)/t13-/m1/s1
InChIKeyCOQGDJGJJVLVGR-CYBMUJFWSA-N
XLogP3.25
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95584085
2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine
CID 56880782
2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine
CID 56874837
4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95273837
2-(3-chloro-4-fluorophenyl)-4-(6-methylpyrazin-2-yl)morpholine
CID 133469954
(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 95551468
2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine
CID 135106958
4-methyl-6-[(2R)-2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]pyrimidin-2-amine
CID 95847850
(2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 95551993
4-(2-ethylmorpholin-4-yl)-6-methylpyrimidin-2-amine
CID 112726117
2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine
CID 56877952
6-[4-(2-amino-6-methylpyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylpyridine-3-carboxamide
CID 110271991

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine (CID 95175522) is 4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine is Cc1cc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)nc(N)n1.
What is the InChIKey of 4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine?
The InChIKey is COQGDJGJJVLVGR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-9-6-14(20-15(18)19-9)21-4-5-22-13(8-21)10-2-3-11(16)12(17)7-10/h2-3,6-7,13H,4-5,8H2,1H3,(H2,18,19,20)/t13-/m1/s1.
What are the key properties of 4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine?
4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine has a molecular weight of 339.23 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 95175522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).