N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide

C16H18Cl2N4O — CID 109263849

IUPACN-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
SMILESCCCCCNc1ncc(C(=O)Nc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C16H18Cl2N4O/c1-2-3-4-8-19-16-20-9-11(10-21-16)15(23)22-13-7-5-6-12(17)14(13)18/h5-7,9-10H,2-4,8H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyDGAULRUSRLVNRJ-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.64
Rot. Bonds7

About N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide

N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide (PubChem CID 109263849) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
PubChem CID109263849
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC NameN-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
SMILESCCCCCNc1ncc(C(=O)Nc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C16H18Cl2N4O/c1-2-3-4-8-19-16-20-9-11(10-21-16)15(23)22-13-7-5-6-12(17)14(13)18/h5-7,9-10H,2-4,8H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyDGAULRUSRLVNRJ-UHFFFAOYSA-N
XLogP4.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.64
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-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263756
N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263782
2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide
CID 109255517
N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263811
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267415
N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253571
N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253299
N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263795
N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263792
2-[(2-chlorophenyl)methylamino]-N-pentylpyrimidine-5-carboxamide
CID 109257503
N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide
CID 54808960
methyl 3-[[2-(pentylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109263813

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide (CID 109263849) is N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide is CCCCCNc1ncc(C(=O)Nc2cccc(Cl)c2Cl)cn1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
The InChIKey is DGAULRUSRLVNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c1-2-3-4-8-19-16-20-9-11(10-21-16)15(23)22-13-7-5-6-12(17)14(13)18/h5-7,9-10H,2-4,8H2,1H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide has a molecular weight of 353.25 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).