ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate

C14H22N2O3 — CID 102972748

IUPACethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate
SMILESCCCc1nc(CC(C)OC)ncc1C(=O)OCC
InChIInChI=1S/C14H22N2O3/c1-5-7-12-11(14(17)19-6-2)9-15-13(16-12)8-10(3)18-4/h9-10H,5-8H2,1-4H3
InChIKeyNNMPKIAIMJXHMQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.18
Rot. Bonds7

About ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate

ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate (PubChem CID 102972748) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate
PubChem CID102972748
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate
SMILESCCCc1nc(CC(C)OC)ncc1C(=O)OCC
InChIInChI=1S/C14H22N2O3/c1-5-7-12-11(14(17)19-6-2)9-15-13(16-12)8-10(3)18-4/h9-10H,5-8H2,1-4H3
InChIKeyNNMPKIAIMJXHMQ-UHFFFAOYSA-N
XLogP2.18
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate
CID 102972907
ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate
CID 102972537
ethyl 2-(1-methoxy-2-methylpropyl)-4-propylpyrimidine-5-carboxylate
CID 102972651
ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate
CID 102972759
ethyl 4-(chloromethyl)-2-(2-methylpropyl)pyrimidine-5-carboxylate
CID 102973414
ethyl 2-(1-methylsulfonylethyl)-4-propylpyrimidine-5-carboxylate
CID 102972679
ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate
CID 102972892
ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate
CID 102972665
ethyl 4-ethyl-2-[2-(2-methoxyethoxy)ethyl]pyrimidine-5-carboxylate
CID 102972911
ethyl 2-(5-bromo-2-pyridinyl)-4-propylpyrimidine-5-carboxylate
CID 102972749
ethyl 2-(4-chlorophenyl)-4-propylpyrimidine-5-carboxylate
CID 102972636
ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate
CID 102972785

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate (CID 102972748) is ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate is CCCc1nc(CC(C)OC)ncc1C(=O)OCC.
What is the InChIKey of ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate?
The InChIKey is NNMPKIAIMJXHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-7-12-11(14(17)19-6-2)9-15-13(16-12)8-10(3)18-4/h9-10H,5-8H2,1-4H3.
What are the key properties of ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate?
ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate is sourced from PubChem (CID 102972748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).