ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate

C14H23N3O2 — CID 102972759

IUPACethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate
SMILESCCCc1nc(CCN(C)C)ncc1C(=O)OCC
InChIInChI=1S/C14H23N3O2/c1-5-7-12-11(14(18)19-6-2)10-15-13(16-12)8-9-17(3)4/h10H,5-9H2,1-4H3
InChIKeySMEUHZPCEHRWGA-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.71
Rot. Bonds7

About ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate

ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate (PubChem CID 102972759) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate
PubChem CID102972759
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate
SMILESCCCc1nc(CCN(C)C)ncc1C(=O)OCC
InChIInChI=1S/C14H23N3O2/c1-5-7-12-11(14(18)19-6-2)10-15-13(16-12)8-9-17(3)4/h10H,5-9H2,1-4H3
InChIKeySMEUHZPCEHRWGA-UHFFFAOYSA-N
XLogP1.71
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate
CID 102972785
ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate
CID 102972748
ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate
CID 102972892
ethyl 4-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylate
CID 102972902
ethyl 2-(1-methylsulfonylethyl)-4-propylpyrimidine-5-carboxylate
CID 102972679
ethyl 4-ethyl-2-[2-(2-methoxyethoxy)ethyl]pyrimidine-5-carboxylate
CID 102972911
ethyl 2-(1-methoxy-2-methylpropyl)-4-propylpyrimidine-5-carboxylate
CID 102972651
ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate
CID 102972665
ethyl 2-(4-chlorophenyl)-4-propylpyrimidine-5-carboxylate
CID 102972636
ethyl 2-(5-bromo-2-pyridinyl)-4-propylpyrimidine-5-carboxylate
CID 102972749
2-butyl-4-propylpyrimidine-5-carboxylic acid
CID 79412122
ethyl 4-(chloromethyl)-2-(2-methylpropyl)pyrimidine-5-carboxylate
CID 102973414

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate (CID 102972759) is ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate is CCCc1nc(CCN(C)C)ncc1C(=O)OCC.
What is the InChIKey of ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate?
The InChIKey is SMEUHZPCEHRWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-7-12-11(14(18)19-6-2)10-15-13(16-12)8-9-17(3)4/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate?
ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate is sourced from PubChem (CID 102972759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).