ethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate

C17H20N4O3 — CID 139881750

IUPACethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2cccnc2)nc1N1CCOCC1
InChIInChI=1S/C17H20N4O3/c1-3-24-17(22)14-12(2)19-15(13-5-4-6-18-11-13)20-16(14)21-7-9-23-10-8-21/h4-6,11H,3,7-10H2,1-2H3
InChIKeyUHLWKLKPLVPLAM-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.86
Rot. Bonds4

About ethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate

ethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate (PubChem CID 139881750) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate
PubChem CID139881750
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Nameethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2cccnc2)nc1N1CCOCC1
InChIInChI=1S/C17H20N4O3/c1-3-24-17(22)14-12(2)19-15(13-5-4-6-18-11-13)20-16(14)21-7-9-23-10-8-21/h4-6,11H,3,7-10H2,1-2H3
InChIKeyUHLWKLKPLVPLAM-UHFFFAOYSA-N
XLogP1.86
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 2-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 3522145
Ethyl 4-morpholin-4-yl-2-phenylpyrimidine-5-carboxylate
CID 796077
Ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-phenylpyrimidine-5-carboxylate
CID 2767637
Methyl 4-benzyl-6-methyl-2-pyridin-2-ylpyrimidine-5-carboxylate
CID 137632273
Methyl 4-benzyl-6-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxylate
CID 137657393
Methyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate
CID 48930529
Diethyl 1,3-dipyridin-2-yl-2,4-dihydropyrimidine-5,6-dicarboxylate
CID 71602810
(4-Morpholin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-pyridin-3-ylmethanone
CID 97516679
N,2-dimethyl-6-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]pyrimidin-4-amine
CID 110271894
6-[4-(6-Methylpyrimidin-4-yl)morpholin-2-yl]pyridine-3-carboxamide
CID 110271969
Methyl 4-benzyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-2-ylpyrimidine-5-carboxylate
CID 137643850
Ethyl 4-(2-methylpropyl)-2-phenylpyrimidine-5-carboxylate
CID 162643902

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate (CID 139881750) is ethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(-c2cccnc2)nc1N1CCOCC1.
What is the InChIKey of ethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate?
The InChIKey is UHLWKLKPLVPLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-3-24-17(22)14-12(2)19-15(13-5-4-6-18-11-13)20-16(14)21-7-9-23-10-8-21/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of ethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate?
ethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 139881750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).