(2R)-N-(5-bromopyrimidin-2-yl)-N-methyl-2-(3-methylphenoxy)propanamide

C15H16BrN3O2 — CID 124886781

IUPAC(2R)-N-(5-bromopyrimidin-2-yl)-N-methyl-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)N(C)c2ncc(Br)cn2)c1
InChIInChI=1S/C15H16BrN3O2/c1-10-5-4-6-13(7-10)21-11(2)14(20)19(3)15-17-8-12(16)9-18-15/h4-9,11H,1-3H3/t11-/m1/s1
InChIKeyCESLQYCGPHITCL-LLVKDONJSA-N
MW350.22 g/mol
LogP2.98
Rot. Bonds4

About (2R)-N-(5-bromopyrimidin-2-yl)-N-methyl-2-(3-methylphenoxy)propanamide

(2R)-N-(5-bromopyrimidin-2-yl)-N-methyl-2-(3-methylphenoxy)propanamide (PubChem CID 124886781) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is (2R)-N-(5-bromopyrimidin-2-yl)-N-methyl-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-bromopyrimidin-2-yl)-N-methyl-2-(3-methylphenoxy)propanamide
PubChem CID124886781
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name(2R)-N-(5-bromopyrimidin-2-yl)-N-methyl-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)N(C)c2ncc(Br)cn2)c1
InChIInChI=1S/C15H16BrN3O2/c1-10-5-4-6-13(7-10)21-11(2)14(20)19(3)15-17-8-12(16)9-18-15/h4-9,11H,1-3H3/t11-/m1/s1
InChIKeyCESLQYCGPHITCL-LLVKDONJSA-N
XLogP2.98
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide
CID 5211890
2-(3-bromophenoxy)-N,N-dimethylpropanamide
CID 43085551
methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
CID 61030275
(2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 95880421
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 21368307
2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide
CID 107396753
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
1-(5-bromo-2-pyridinyl)-4-(3-methylphenoxy)butan-2-one
CID 105128757
methyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
CID 61006680
1-amino-3-(3-methylphenoxy)butan-2-one
CID 82401994
2-(3-methylphenoxy)propanehydrazide
CID 3021693

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-bromopyrimidin-2-yl)-N-methyl-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-(5-bromopyrimidin-2-yl)-N-methyl-2-(3-methylphenoxy)propanamide (CID 124886781) is (2R)-N-(5-bromopyrimidin-2-yl)-N-methyl-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(5-bromopyrimidin-2-yl)-N-methyl-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(5-bromopyrimidin-2-yl)-N-methyl-2-(3-methylphenoxy)propanamide is Cc1cccc(O[C@H](C)C(=O)N(C)c2ncc(Br)cn2)c1.
What is the InChIKey of (2R)-N-(5-bromopyrimidin-2-yl)-N-methyl-2-(3-methylphenoxy)propanamide?
The InChIKey is CESLQYCGPHITCL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-10-5-4-6-13(7-10)21-11(2)14(20)19(3)15-17-8-12(16)9-18-15/h4-9,11H,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-N-(5-bromopyrimidin-2-yl)-N-methyl-2-(3-methylphenoxy)propanamide?
(2R)-N-(5-bromopyrimidin-2-yl)-N-methyl-2-(3-methylphenoxy)propanamide has a molecular weight of 350.22 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-bromopyrimidin-2-yl)-N-methyl-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 124886781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).