4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine

C15H17BrN4O — CID 95273837

IUPAC4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCO[C@@H](c3ccccc3Br)C2)nc(N)n1
InChIInChI=1S/C15H17BrN4O/c1-10-8-14(19-15(17)18-10)20-6-7-21-13(9-20)11-4-2-3-5-12(11)16/h2-5,8,13H,6-7,9H2,1H3,(H2,17,18,19)/t13-/m1/s1
InChIKeySXWNEOKGBZGKHT-CYBMUJFWSA-N
MW349.23 g/mol
LogP2.71
Rot. Bonds2

About 4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine

4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine (PubChem CID 95273837) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
PubChem CID95273837
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCO[C@@H](c3ccccc3Br)C2)nc(N)n1
InChIInChI=1S/C15H17BrN4O/c1-10-8-14(19-15(17)18-10)20-6-7-21-13(9-20)11-4-2-3-5-12(11)16/h2-5,8,13H,6-7,9H2,1H3,(H2,17,18,19)/t13-/m1/s1
InChIKeySXWNEOKGBZGKHT-CYBMUJFWSA-N
XLogP2.71
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.71
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-(2-bromophenyl)-4-(6-methylpyrazin-2-yl)morpholine
CID 133469570
4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95175522
4-(2-ethylmorpholin-4-yl)-6-methylpyrimidin-2-amine
CID 112726117
4-methyl-6-[(2R)-2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]pyrimidin-2-amine
CID 95847850
4-[(2R)-2-(2,2-diphenylethyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95552033
4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95552034
6-[4-(2-amino-6-methylpyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylpyridine-3-carboxamide
CID 110271991
4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine
CID 133354201
(2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide
CID 94823361
2-(2-bromophenyl)-4-propylmorpholine
CID 82184644
4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 171445988

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine (CID 95273837) is 4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine is Cc1cc(N2CCO[C@@H](c3ccccc3Br)C2)nc(N)n1.
What is the InChIKey of 4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine?
The InChIKey is SXWNEOKGBZGKHT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-10-8-14(19-15(17)18-10)20-6-7-21-13(9-20)11-4-2-3-5-12(11)16/h2-5,8,13H,6-7,9H2,1H3,(H2,17,18,19)/t13-/m1/s1.
What are the key properties of 4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine?
4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine has a molecular weight of 349.23 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 95273837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).