ethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate

C14H21N3O3 — CID 115967564

IUPACethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(C)C2CCOC2)nc1C
InChIInChI=1S/C14H21N3O3/c1-4-20-13(18)12-7-15-14(17-10(12)3)16-9(2)11-5-6-19-8-11/h7,9,11H,4-6,8H2,1-3H3,(H,15,16,17)
InChIKeyAPLOUTMMNOUVKD-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.80
Rot. Bonds5

About ethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate

ethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate (PubChem CID 115967564) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate
PubChem CID115967564
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nameethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(C)C2CCOC2)nc1C
InChIInChI=1S/C14H21N3O3/c1-4-20-13(18)12-7-15-14(17-10(12)3)16-9(2)11-5-6-19-8-11/h7,9,11H,4-6,8H2,1-3H3,(H,15,16,17)
InChIKeyAPLOUTMMNOUVKD-UHFFFAOYSA-N
XLogP1.80
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate
CID 83178981
ethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate
CID 83179670
ethyl 2-(1,4-dioxan-2-ylmethylamino)-4-methylpyrimidine-5-carboxylate
CID 83178983
ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate
CID 83179837
ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate
CID 17121387
ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate
CID 115967543
ethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate
CID 103943012
ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate
CID 83178577
ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate
CID 83181624
2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)amino]pent-4-enoic acid
CID 83179981
ethyl 2-[(2-aminocycloheptyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83180712
ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate
CID 83180168

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate (CID 115967564) is ethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC(C)C2CCOC2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate?
The InChIKey is APLOUTMMNOUVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-20-13(18)12-7-15-14(17-10(12)3)16-9(2)11-5-6-19-8-11/h7,9,11H,4-6,8H2,1-3H3,(H,15,16,17).
What are the key properties of ethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate?
ethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate is sourced from PubChem (CID 115967564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).