N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide

C16H19ClN4O — CID 109263782

IUPACN-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
SMILESCCCCCNc1ncc(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C16H19ClN4O/c1-2-3-4-8-18-16-19-10-12(11-20-16)15(22)21-14-7-5-6-13(17)9-14/h5-7,9-11H,2-4,8H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyMDJVSBPTBRRORQ-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.98
Rot. Bonds7

About N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide

N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide (PubChem CID 109263782) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
PubChem CID109263782
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
SMILESCCCCCNc1ncc(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C16H19ClN4O/c1-2-3-4-8-18-16-19-10-12(11-20-16)15(22)21-14-7-5-6-13(17)9-14/h5-7,9-11H,2-4,8H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyMDJVSBPTBRRORQ-UHFFFAOYSA-N
XLogP3.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.98
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-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263795
2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide
CID 109248417
methyl 3-[[2-(pentylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109263813
N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263811
N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263849
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263792
5-chloro-N-(3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 25176417
N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109264675
N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259024
2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268731
N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263756

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide (CID 109263782) is N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide is CCCCCNc1ncc(C(=O)Nc2cccc(Cl)c2)cn1.
What is the InChIKey of N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
The InChIKey is MDJVSBPTBRRORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-2-3-4-8-18-16-19-10-12(11-20-16)15(22)21-14-7-5-6-13(17)9-14/h5-7,9-11H,2-4,8H2,1H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).