N-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide

C15H17BrN4O — CID 62167079

IUPACN-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN4O/c1-9(2)14-18-8-12(17-3)13(20-14)15(21)19-11-6-4-10(16)5-7-11/h4-9,17H,1-3H3,(H,19,21)
InChIKeyRAXFYEKEXHYRTN-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.66
Rot. Bonds4

About N-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide

N-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62167079) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62167079
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC NameN-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN4O/c1-9(2)14-18-8-12(17-3)13(20-14)15(21)19-11-6-4-10(16)5-7-11/h4-9,17H,1-3H3,(H,19,21)
InChIKeyRAXFYEKEXHYRTN-UHFFFAOYSA-N
XLogP3.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55046824
N-(3-chloro-2-pyridinyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 103094878
5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 55042358
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62176385
5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63003869
N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 62022282
N-[1-(dimethylamino)propan-2-yl]-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 82950338
5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide
CID 62179987
N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 136579417
5-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 106423124
5-chloro-N-[4-[(S)-methylsulfinyl]phenyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 96565908
5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
CID 62175297

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62167079) is N-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide is CNc1cnc(C(C)C)nc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is RAXFYEKEXHYRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-9(2)14-18-8-12(17-3)13(20-14)15(21)19-11-6-4-10(16)5-7-11/h4-9,17H,1-3H3,(H,19,21).
What are the key properties of N-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
N-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62167079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).