ethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate

C18H29N5O3 — CID 109352855

IUPACethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCCN(CCC)c1cc(C(=O)N2CCN(C(=O)OCC)CC2)ncn1
InChIInChI=1S/C18H29N5O3/c1-4-7-21(8-5-2)16-13-15(19-14-20-16)17(24)22-9-11-23(12-10-22)18(25)26-6-3/h13-14H,4-12H2,1-3H3
InChIKeyFZEYAPPZOMBREU-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.02
Rot. Bonds7

About ethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate

ethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate (PubChem CID 109352855) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
PubChem CID109352855
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Nameethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCCN(CCC)c1cc(C(=O)N2CCN(C(=O)OCC)CC2)ncn1
InChIInChI=1S/C18H29N5O3/c1-4-7-21(8-5-2)16-13-15(19-14-20-16)17(24)22-9-11-23(12-10-22)18(25)26-6-3/h13-14H,4-12H2,1-3H3
InChIKeyFZEYAPPZOMBREU-UHFFFAOYSA-N
XLogP2.02
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109352116
ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862856
3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone
CID 109350765
ethyl 4-[6-(azepan-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109352856
ethyl 4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109345115
ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123862
ethyl 4-[6-(4-ethylanilino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109352871
ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate
CID 110705248
ethyl 4-[6-[(2-methylphenyl)methylamino]pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109346806
ethyl 4-[6-(2-chloroanilino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109352879
N-butyl-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide
CID 109354737
ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
CID 55143433

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate (CID 109352855) is ethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate is CCCN(CCC)c1cc(C(=O)N2CCN(C(=O)OCC)CC2)ncn1.
What is the InChIKey of ethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is FZEYAPPZOMBREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-4-7-21(8-5-2)16-13-15(19-14-20-16)17(24)22-9-11-23(12-10-22)18(25)26-6-3/h13-14H,4-12H2,1-3H3.
What are the key properties of ethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate?
ethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109352855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).