(2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide

C21H28BrN5O — CID 25477477

IUPAC(2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCc1cc(N2CCN([C@H](C)C(=O)Nc3cccc(Br)c3)CC2)nc(C(C)C)n1
InChIInChI=1S/C21H28BrN5O/c1-14(2)20-23-15(3)12-19(25-20)27-10-8-26(9-11-27)16(4)21(28)24-18-7-5-6-17(22)13-18/h5-7,12-14,16H,8-11H2,1-4H3,(H,24,28)/t16-/m1/s1
InChIKeyMUTUNNBLXRSTMU-MRXNPFEDSA-N
MW446.39 g/mol
LogP3.82
Rot. Bonds5

About (2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide

(2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide (PubChem CID 25477477) has the molecular formula C21H28BrN5O and a molecular weight of 446.39 g/mol. Its IUPAC name is (2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
PubChem CID25477477
Molecular FormulaC21H28BrN5O
Molecular Weight446.39 g/mol
Exact Mass445.15
IUPAC Name(2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCc1cc(N2CCN([C@H](C)C(=O)Nc3cccc(Br)c3)CC2)nc(C(C)C)n1
InChIInChI=1S/C21H28BrN5O/c1-14(2)20-23-15(3)12-19(25-20)27-10-8-26(9-11-27)16(4)21(28)24-18-7-5-6-17(22)13-18/h5-7,12-14,16H,8-11H2,1-4H3,(H,24,28)/t16-/m1/s1
InChIKeyMUTUNNBLXRSTMU-MRXNPFEDSA-N
XLogP3.82
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 46631297
N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 46631339
(2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 25487651
N-(3-chlorophenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 27734883
1-(2,3-dihydroindol-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 18094610
N-(4-methoxy-2-nitrophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 46631289
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 42895887
(2S)-N-(3-bromophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430772
(2S)-N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430774
N-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide
CID 55470161
1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 17452594
N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 86868244

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide (CID 25477477) is (2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide is Cc1cc(N2CCN([C@H](C)C(=O)Nc3cccc(Br)c3)CC2)nc(C(C)C)n1.
What is the InChIKey of (2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The InChIKey is MUTUNNBLXRSTMU-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28BrN5O/c1-14(2)20-23-15(3)12-19(25-20)27-10-8-26(9-11-27)16(4)21(28)24-18-7-5-6-17(22)13-18/h5-7,12-14,16H,8-11H2,1-4H3,(H,24,28)/t16-/m1/s1.
What are the key properties of (2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
(2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide has a molecular weight of 446.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 25477477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).