ethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate

C12H19N3O3 — CID 114230720

IUPACethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N(C)CCCO)nc1C
InChIInChI=1S/C12H19N3O3/c1-4-18-11(17)10-8-13-12(14-9(10)2)15(3)6-5-7-16/h8,16H,4-7H2,1-3H3
InChIKeyAFMWVVAMOVMIIS-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.78
Rot. Bonds6

About ethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate

ethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate (PubChem CID 114230720) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate
PubChem CID114230720
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N(C)CCCO)nc1C
InChIInChI=1S/C12H19N3O3/c1-4-18-11(17)10-8-13-12(14-9(10)2)15(3)6-5-7-16/h8,16H,4-7H2,1-3H3
InChIKeyAFMWVVAMOVMIIS-UHFFFAOYSA-N
XLogP0.78
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate
CID 115967591
(4,4-difluoro-3-methylbut-3-enyl) 4-methyl-2-[methyl(pentyl)amino]pyrimidine-5-carboxylate
CID 69182304
ethyl 4-chloro-2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-5-carboxylate
CID 168948233
2-[hexyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 91210438
ethyl 2-[(3-amino-3-sulfanylidenepropyl)-propan-2-ylamino]-4-methylpyrimidine-5-carboxylate
CID 83179890
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032
ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178
2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetic acid
CID 83178261
ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate
CID 71220661
ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate
CID 102972424
ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102972473
ethyl 5-amino-3-chloro-2-[3-hydroxypropyl(methyl)amino]benzoate
CID 114230681

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate (CID 114230720) is ethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(N(C)CCCO)nc1C.
What is the InChIKey of ethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate?
The InChIKey is AFMWVVAMOVMIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-18-11(17)10-8-13-12(14-9(10)2)15(3)6-5-7-16/h8,16H,4-7H2,1-3H3.
What are the key properties of ethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate?
ethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 114230720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).