N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide

C16H19Cl2N5O — CID 109344839

IUPACN-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
SMILESCN(C)CCCNc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ncn1
InChIInChI=1S/C16H19Cl2N5O/c1-23(2)5-3-4-19-15-9-14(20-10-21-15)16(24)22-13-7-11(17)6-12(18)8-13/h6-10H,3-5H2,1-2H3,(H,22,24)(H,19,20,21)
InChIKeyKCRQHGZJKFEWBB-UHFFFAOYSA-N
MW368.27 g/mol
LogP3.40
Rot. Bonds7

About N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide

N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide (PubChem CID 109344839) has the molecular formula C16H19Cl2N5O and a molecular weight of 368.27 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
PubChem CID109344839
Molecular FormulaC16H19Cl2N5O
Molecular Weight368.27 g/mol
Exact Mass367.10
IUPAC NameN-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
SMILESCN(C)CCCNc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ncn1
InChIInChI=1S/C16H19Cl2N5O/c1-23(2)5-3-4-19-15-9-14(20-10-21-15)16(24)22-13-7-11(17)6-12(18)8-13/h6-10H,3-5H2,1-2H3,(H,22,24)(H,19,20,21)
InChIKeyKCRQHGZJKFEWBB-UHFFFAOYSA-N
XLogP3.40
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 53.40
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

N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344684
N-(5-chloro-2-methylphenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344781
4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857881
N-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344178
N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344173
6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109344830
6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109344114
6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109345006
ethyl 2-[[6-[3-(dimethylamino)propylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109344845
6-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343287
N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109344929
N-(6-chloropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 56832156

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide (CID 109344839) is N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide is CN(C)CCCNc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ncn1.
What is the InChIKey of N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide?
The InChIKey is KCRQHGZJKFEWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O/c1-23(2)5-3-4-19-15-9-14(20-10-21-15)16(24)22-13-7-11(17)6-12(18)8-13/h6-10H,3-5H2,1-2H3,(H,22,24)(H,19,20,21).
What are the key properties of N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide?
N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide has a molecular weight of 368.27 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109344839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).