6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide

C18H24ClN5O — CID 109366792

IUPAC6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc(Cl)c2C)cc(C(=O)NCCCN(C)C)n1
InChIInChI=1S/C18H24ClN5O/c1-12-14(19)7-5-8-15(12)23-17-11-16(21-13(2)22-17)18(25)20-9-6-10-24(3)4/h5,7-8,11H,6,9-10H2,1-4H3,(H,20,25)(H,21,22,23)
InChIKeySNFKYELJBQUDCV-UHFFFAOYSA-N
MW361.88 g/mol
LogP3.17
Rot. Bonds7

About 6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide

6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109366792) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109366792
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc(Cl)c2C)cc(C(=O)NCCCN(C)C)n1
InChIInChI=1S/C18H24ClN5O/c1-12-14(19)7-5-8-15(12)23-17-11-16(21-13(2)22-17)18(25)20-9-6-10-24(3)4/h5,7-8,11H,6,9-10H2,1-4H3,(H,20,25)(H,21,22,23)
InChIKeySNFKYELJBQUDCV-UHFFFAOYSA-N
XLogP3.17
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 53.17
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

6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365257
6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369908
6-(3-chloro-2-methylanilino)-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112850200
N-benzyl-6-(3-chloro-2-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 109369504
N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
CID 109366826
6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360277
methyl 2-[[6-[2-(dimethylamino)ethylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109366288
3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053440
N-butyl-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109340116
6-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850197
6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096585
6-(3-chloro-4-fluoroanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366264

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide (CID 109366792) is 6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2cccc(Cl)c2C)cc(C(=O)NCCCN(C)C)n1.
What is the InChIKey of 6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is SNFKYELJBQUDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-12-14(19)7-5-8-15(12)23-17-11-16(21-13(2)22-17)18(25)20-9-6-10-24(3)4/h5,7-8,11H,6,9-10H2,1-4H3,(H,20,25)(H,21,22,23).
What are the key properties of 6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide?
6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 361.88 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109366792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).