ethyl 4-[[2-(dipropylamino)pyrimidine-4-carbonyl]amino]benzoate

C20H26N4O3 — CID 109312955

IUPACethyl 4-[[2-(dipropylamino)pyrimidine-4-carbonyl]amino]benzoate
SMILESCCCN(CCC)c1nccc(C(=O)Nc2ccc(C(=O)OCC)cc2)n1
InChIInChI=1S/C20H26N4O3/c1-4-13-24(14-5-2)20-21-12-11-17(23-20)18(25)22-16-9-7-15(8-10-16)19(26)27-6-3/h7-12H,4-6,13-14H2,1-3H3,(H,22,25)
InChIKeyKNFRRRIIUJYGRP-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.53
Rot. Bonds9

About ethyl 4-[[2-(dipropylamino)pyrimidine-4-carbonyl]amino]benzoate

ethyl 4-[[2-(dipropylamino)pyrimidine-4-carbonyl]amino]benzoate (PubChem CID 109312955) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is ethyl 4-[[2-(dipropylamino)pyrimidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(dipropylamino)pyrimidine-4-carbonyl]amino]benzoate
PubChem CID109312955
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Nameethyl 4-[[2-(dipropylamino)pyrimidine-4-carbonyl]amino]benzoate
SMILESCCCN(CCC)c1nccc(C(=O)Nc2ccc(C(=O)OCC)cc2)n1
InChIInChI=1S/C20H26N4O3/c1-4-13-24(14-5-2)20-21-12-11-17(23-20)18(25)22-16-9-7-15(8-10-16)19(26)27-6-3/h7-12H,4-6,13-14H2,1-3H3,(H,22,25)
InChIKeyKNFRRRIIUJYGRP-UHFFFAOYSA-N
XLogP3.53
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109312894
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312928
ethyl 4-[[4-[(4-chlorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109317016
ethyl 4-[[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]benzoate
CID 109302171
ethyl 4-[[4-(dipropylamino)pyrimidin-2-yl]amino]benzoate
CID 112901242
ethyl 4-[[4-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109315230
ethyl 4-[[4-[(3,4-dimethylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109315091
ethyl 4-[[2-(diethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109262560
methyl 4-[[2-(N-ethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315827
ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109093781
2-(dipropylamino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109312892
methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109196665

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(dipropylamino)pyrimidine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(dipropylamino)pyrimidine-4-carbonyl]amino]benzoate (CID 109312955) is ethyl 4-[[2-(dipropylamino)pyrimidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(dipropylamino)pyrimidine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(dipropylamino)pyrimidine-4-carbonyl]amino]benzoate is CCCN(CCC)c1nccc(C(=O)Nc2ccc(C(=O)OCC)cc2)n1.
What is the InChIKey of ethyl 4-[[2-(dipropylamino)pyrimidine-4-carbonyl]amino]benzoate?
The InChIKey is KNFRRRIIUJYGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-13-24(14-5-2)20-21-12-11-17(23-20)18(25)22-16-9-7-15(8-10-16)19(26)27-6-3/h7-12H,4-6,13-14H2,1-3H3,(H,22,25).
What are the key properties of ethyl 4-[[2-(dipropylamino)pyrimidine-4-carbonyl]amino]benzoate?
ethyl 4-[[2-(dipropylamino)pyrimidine-4-carbonyl]amino]benzoate has a molecular weight of 370.45 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(dipropylamino)pyrimidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109312955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).