2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide

C18H24N4O2 — CID 109313021

IUPAC2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2ccccc2OC)n1
InChIInChI=1S/C18H24N4O2/c1-4-12-22(13-5-2)17(23)15-10-11-19-18(21-15)20-14-8-6-7-9-16(14)24-3/h6-11H,4-5,12-13H2,1-3H3,(H,19,20,21)
InChIKeyLTLDXADPWBZIQW-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.49
Rot. Bonds8

About 2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide

2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109313021) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109313021
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2ccccc2OC)n1
InChIInChI=1S/C18H24N4O2/c1-4-12-22(13-5-2)17(23)15-10-11-19-18(21-15)20-14-8-6-7-9-16(14)24-3/h6-11H,4-5,12-13H2,1-3H3,(H,19,20,21)
InChIKeyLTLDXADPWBZIQW-UHFFFAOYSA-N
XLogP3.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313024
2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313029
2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313006
N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109301340
2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313017
N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109310878
2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109311065
2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313081
2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313739
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-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295056

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide (CID 109313021) is 2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1ccnc(Nc2ccccc2OC)n1.
What is the InChIKey of 2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is LTLDXADPWBZIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-12-22(13-5-2)17(23)15-10-11-19-18(21-15)20-14-8-6-7-9-16(14)24-3/h6-11H,4-5,12-13H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide?
2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109313021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).