N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide

C16H19BrN4O2 — CID 109365130

IUPACN-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)Nc2cccc(Br)c2)nc(C)n1
InChIInChI=1S/C16H19BrN4O2/c1-11-19-14(10-15(20-11)18-7-4-8-23-2)16(22)21-13-6-3-5-12(17)9-13/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyFIBZFXCSDZWZDY-UHFFFAOYSA-N
MW379.26 g/mol
LogP3.25
Rot. Bonds7

About N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide

N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109365130) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109365130
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC NameN-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)Nc2cccc(Br)c2)nc(C)n1
InChIInChI=1S/C16H19BrN4O2/c1-11-19-14(10-15(20-11)18-7-4-8-23-2)16(22)21-13-6-3-5-12(17)9-13/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyFIBZFXCSDZWZDY-UHFFFAOYSA-N
XLogP3.25
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-methoxypropylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109365060
methyl 3-[[6-(3-methoxypropylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109365116
N-(4-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365095
6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109364699
methyl 3-[[6-(butylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109361689
N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109364804
N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846747
N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364774
N-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365071
N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368048
N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide
CID 109361668
N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364786

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide (CID 109365130) is N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide is COCCCNc1cc(C(=O)Nc2cccc(Br)c2)nc(C)n1.
What is the InChIKey of N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is FIBZFXCSDZWZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c1-11-19-14(10-15(20-11)18-7-4-8-23-2)16(22)21-13-6-3-5-12(17)9-13/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide?
N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 379.26 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109365130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).