2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide

C18H23ClN4O — CID 109313014

IUPAC2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C18H23ClN4O/c1-4-10-23(11-5-2)17(24)16-8-9-20-18(22-16)21-14-7-6-13(3)15(19)12-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21,22)
InChIKeyQJKSHEFBNBTIQM-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.44
Rot. Bonds7

About 2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide

2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109313014) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109313014
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C18H23ClN4O/c1-4-10-23(11-5-2)17(24)16-8-9-20-18(22-16)21-14-7-6-13(3)15(19)12-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21,22)
InChIKeyQJKSHEFBNBTIQM-UHFFFAOYSA-N
XLogP4.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313017
2-(3-chloro-4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312124
2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313013
N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109313001
2-(3-chloro-4-fluoroanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109310867
2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295101
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313532
2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304118
2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307099
2-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)pyrimidine-4-carboxamide
CID 109316874
2-(3,4-dichloroanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312180
N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317293

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide (CID 109313014) is 2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1ccnc(Nc2ccc(C)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is QJKSHEFBNBTIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-4-10-23(11-5-2)17(24)16-8-9-20-18(22-16)21-14-7-6-13(3)15(19)12-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109313014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).