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

C16H19BrN4O2 — CID 109323995

IUPACN-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCOCCCNc1nc(C)cc(C(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C16H19BrN4O2/c1-11-10-14(21-16(19-11)18-8-5-9-23-2)15(22)20-13-7-4-3-6-12(13)17/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyPFRANDNFLQCJCF-UHFFFAOYSA-N
MW379.26 g/mol
LogP3.25
Rot. Bonds7

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

N-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109323995) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109323995
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC NameN-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCOCCCNc1nc(C)cc(C(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C16H19BrN4O2/c1-11-10-14(21-16(19-11)18-8-5-9-23-2)15(22)20-13-7-4-3-6-12(13)17/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyPFRANDNFLQCJCF-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

2-(2-bromoanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324165
N-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide
CID 109332691
N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251998
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109324016
N-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109333387
2-(3-methoxypropylamino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109324026
methyl 2-[[2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109325521
N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323883
N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323874
2-(butylamino)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109320553
2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109324949
N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323895

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide (CID 109323995) is N-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide is COCCCNc1nc(C)cc(C(=O)Nc2ccccc2Br)n1.
What is the InChIKey of N-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is PFRANDNFLQCJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c1-11-10-14(21-16(19-11)18-8-5-9-23-2)15(22)20-13-7-4-3-6-12(13)17/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,20,22)(H,18,19,21).
What are the key properties of N-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
N-(2-bromophenyl)-2-(3-methoxypropylamino)-6-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-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109323995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).