N-[(2R)-2-(4-bromophenyl)propyl]-4-methylpyrimidine-5-carboxamide

C15H16BrN3O — CID 164641514

IUPACN-[(2R)-2-(4-bromophenyl)propyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NC[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O/c1-10(12-3-5-13(16)6-4-12)7-18-15(20)14-8-17-9-19-11(14)2/h3-6,8-10H,7H2,1-2H3,(H,18,20)/t10-/m0/s1
InChIKeyCOAUSGFYHAEYLT-JTQLQIEISA-N
MW334.22 g/mol
LogP3.08
Rot. Bonds4

About N-[(2R)-2-(4-bromophenyl)propyl]-4-methylpyrimidine-5-carboxamide

N-[(2R)-2-(4-bromophenyl)propyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 164641514) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-[(2R)-2-(4-bromophenyl)propyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-bromophenyl)propyl]-4-methylpyrimidine-5-carboxamide
PubChem CID164641514
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-[(2R)-2-(4-bromophenyl)propyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NC[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O/c1-10(12-3-5-13(16)6-4-12)7-18-15(20)14-8-17-9-19-11(14)2/h3-6,8-10H,7H2,1-2H3,(H,18,20)/t10-/m0/s1
InChIKeyCOAUSGFYHAEYLT-JTQLQIEISA-N
XLogP3.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-bromophenyl)propyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[(2R)-2-(4-bromophenyl)propyl]-4-methylpyrimidine-5-carboxamide (CID 164641514) is N-[(2R)-2-(4-bromophenyl)propyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-bromophenyl)propyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-bromophenyl)propyl]-4-methylpyrimidine-5-carboxamide is Cc1ncncc1C(=O)NC[C@H](C)c1ccc(Br)cc1.
What is the InChIKey of N-[(2R)-2-(4-bromophenyl)propyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is COAUSGFYHAEYLT-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10(12-3-5-13(16)6-4-12)7-18-15(20)14-8-17-9-19-11(14)2/h3-6,8-10H,7H2,1-2H3,(H,18,20)/t10-/m0/s1.
What are the key properties of N-[(2R)-2-(4-bromophenyl)propyl]-4-methylpyrimidine-5-carboxamide?
N-[(2R)-2-(4-bromophenyl)propyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-bromophenyl)propyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 164641514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).