N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide

C16H19BrN4O — CID 109263792

IUPACN-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
SMILESCCCCCNc1ncc(C(=O)Nc2ccc(Br)cc2)cn1
InChIInChI=1S/C16H19BrN4O/c1-2-3-4-9-18-16-19-10-12(11-20-16)15(22)21-14-7-5-13(17)6-8-14/h5-8,10-11H,2-4,9H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyVUJHPXDQCMMRKE-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.09
Rot. Bonds7

About N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide

N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide (PubChem CID 109263792) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
PubChem CID109263792
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
SMILESCCCCCNc1ncc(C(=O)Nc2ccc(Br)cc2)cn1
InChIInChI=1S/C16H19BrN4O/c1-2-3-4-9-18-16-19-10-12(11-20-16)15(22)21-14-7-5-13(17)6-8-14/h5-8,10-11H,2-4,9H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyVUJHPXDQCMMRKE-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-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263811
2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide
CID 109248388
2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109248366
N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263782
N-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109312014
N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246780
N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263795
N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263756
methyl 3-[[2-(pentylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109263813
2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide
CID 109248417
N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246773
4-bromo-N-[5-(butylamino)-2-pyridinyl]benzamide
CID 113023973

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide (CID 109263792) is N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide is CCCCCNc1ncc(C(=O)Nc2ccc(Br)cc2)cn1.
What is the InChIKey of N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
The InChIKey is VUJHPXDQCMMRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-2-3-4-9-18-16-19-10-12(11-20-16)15(22)21-14-7-5-13(17)6-8-14/h5-8,10-11H,2-4,9H2,1H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-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-5-carboxamide is sourced from PubChem (CID 109263792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).