N-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide

C16H19BrN4O — CID 109312014

IUPACN-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1nccc(C(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C16H19BrN4O/c1-2-3-4-10-18-16-19-11-9-14(21-16)15(22)20-13-7-5-12(17)6-8-13/h5-9,11H,2-4,10H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyIGYSANANMTYELH-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.09
Rot. Bonds7

About N-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide

N-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide (PubChem CID 109312014) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide
PubChem CID109312014
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1nccc(C(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C16H19BrN4O/c1-2-3-4-10-18-16-19-11-9-14(21-16)15(22)20-13-7-5-12(17)6-8-13/h5-9,11H,2-4,10H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyIGYSANANMTYELH-UHFFFAOYSA-N
XLogP4.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109312009
2-(butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109296454
N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263792
N-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306960
N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109294858
N-[(4-chlorophenyl)methyl]-2-(pentylamino)pyrimidine-4-carboxamide
CID 109306058
N-(3-chloro-4-methylphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109294844
N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109312013
2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109296399
N-(4-bromophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314848
methyl 4-[[2-[3-(dimethylamino)propylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109301809
2-(4-chloroanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312120

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide (CID 109312014) is N-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide is CCCCCNc1nccc(C(=O)Nc2ccc(Br)cc2)n1.
What is the InChIKey of N-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide?
The InChIKey is IGYSANANMTYELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-2-3-4-10-18-16-19-11-9-14(21-16)15(22)20-13-7-5-12(17)6-8-13/h5-9,11H,2-4,10H2,1H3,(H,20,22)(H,18,19,21).
What are the key properties of N-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide?
N-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109312014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).