methyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate

C20H26N4O3 — CID 109334170

IUPACmethyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
SMILESCCCN(CCC)c1nc(C)cc(C(=O)Nc2cccc(C(=O)OC)c2)n1
InChIInChI=1S/C20H26N4O3/c1-5-10-24(11-6-2)20-21-14(3)12-17(23-20)18(25)22-16-9-7-8-15(13-16)19(26)27-4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,22,25)
InChIKeyDYXQLKGHASQCQN-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.45
Rot. Bonds8

About methyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate

methyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate (PubChem CID 109334170) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
PubChem CID109334170
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Namemethyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
SMILESCCCN(CCC)c1nc(C)cc(C(=O)Nc2cccc(C(=O)OC)c2)n1
InChIInChI=1S/C20H26N4O3/c1-5-10-24(11-6-2)20-21-14(3)12-17(23-20)18(25)22-16-9-7-8-15(13-16)19(26)27-4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,22,25)
InChIKeyDYXQLKGHASQCQN-UHFFFAOYSA-N
XLogP3.45
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334146
methyl 3-[[6-methyl-2-(prop-2-enylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109320177
N-(2,3-dimethylphenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334127
N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334197
N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109333607
methyl 3-[[6-(butylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109361689
methyl 3-(dipropylcarbamoylamino)benzoate
CID 108990977
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109333535
methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109090593
N-(3,4-dichlorophenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332307
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate (CID 109334170) is methyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate is CCCN(CCC)c1nc(C)cc(C(=O)Nc2cccc(C(=O)OC)c2)n1.
What is the InChIKey of methyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate?
The InChIKey is DYXQLKGHASQCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-5-10-24(11-6-2)20-21-14(3)12-17(23-20)18(25)22-16-9-7-8-15(13-16)19(26)27-4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,22,25).
What are the key properties of methyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate?
methyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate has a molecular weight of 370.45 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109334170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).