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

C18H23ClN4O — CID 109313013

IUPAC2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C18H23ClN4O/c1-4-10-23(11-5-2)17(24)16-8-9-20-18(22-16)21-15-7-6-14(19)12-13(15)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21,22)
InChIKeyKKWOFSLGGYIGGN-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.44
Rot. Bonds7

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

2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109313013) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109313013
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C18H23ClN4O/c1-4-10-23(11-5-2)17(24)16-8-9-20-18(22-16)21-15-7-6-14(19)12-13(15)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21,22)
InChIKeyKKWOFSLGGYIGGN-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-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109295042
2-(4-chloro-2-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312123
2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313014
N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109313001
5-(4-chloro-2-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288935
2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313006
N-benzyl-2-(4-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311710
2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109334233
N-benzyl-2-(5-chloro-2-methylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109306840
2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315331
[2-(4-chloro-2-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302294
2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313081

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide (CID 109313013) is 2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1ccnc(Nc2ccc(Cl)cc2C)n1.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is KKWOFSLGGYIGGN-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)21-15-7-6-14(19)12-13(15)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
2-(4-chloro-2-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-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109313013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).