(2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide

C13H13BrN4O — CID 97327412

IUPAC(2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide
SMILESNC(=O)[C@@H](Cc1ccccc1)Nc1ncc(Br)cn1
InChIInChI=1S/C13H13BrN4O/c14-10-7-16-13(17-8-10)18-11(12(15)19)6-9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H2,15,19)(H,16,17,18)/t11-/m1/s1
InChIKeySGNANSUSVWIWSC-LLVKDONJSA-N
MW321.18 g/mol
LogP1.75
Rot. Bonds5

About (2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide

(2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide (PubChem CID 97327412) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is (2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide
PubChem CID97327412
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name(2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide
SMILESNC(=O)[C@@H](Cc1ccccc1)Nc1ncc(Br)cn1
InChIInChI=1S/C13H13BrN4O/c14-10-7-16-13(17-8-10)18-11(12(15)19)6-9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H2,15,19)(H,16,17,18)/t11-/m1/s1
InChIKeySGNANSUSVWIWSC-LLVKDONJSA-N
XLogP1.75
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine
CID 65029433
(2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 135099263
(2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide
CID 90046746
2-[[4,6-bis[(1-carboxy-2-phenylethyl)amino]-1,3,5-triazin-2-yl]amino]-3-phenylpropanoic acid
CID 90051144
(2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide
CID 155662554
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62958073
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
2-bromo-3-phenylpropanamide
CID 22238787
(2S)-2-bromo-3-phenylpropanamide
CID 71482600
(2S)-3-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanamide
CID 56888255
2-(cyclopropylamino)-3-phenylpropanamide
CID 60796180
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide (CID 97327412) is (2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide is NC(=O)[C@@H](Cc1ccccc1)Nc1ncc(Br)cn1.
What is the InChIKey of (2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide?
The InChIKey is SGNANSUSVWIWSC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13BrN4O/c14-10-7-16-13(17-8-10)18-11(12(15)19)6-9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H2,15,19)(H,16,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide?
(2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide has a molecular weight of 321.18 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide is sourced from PubChem (CID 97327412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).