ethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate

C15H23N3O3 — CID 115967591

IUPACethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N(C)CC2(O)CCCC2)nc1C
InChIInChI=1S/C15H23N3O3/c1-4-21-13(19)12-9-16-14(17-11(12)2)18(3)10-15(20)7-5-6-8-15/h9,20H,4-8,10H2,1-3H3
InChIKeyCGIIHQDHGSQEMP-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.70
Rot. Bonds5

About ethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate

ethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate (PubChem CID 115967591) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate
PubChem CID115967591
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N(C)CC2(O)CCCC2)nc1C
InChIInChI=1S/C15H23N3O3/c1-4-21-13(19)12-9-16-14(17-11(12)2)18(3)10-15(20)7-5-6-8-15/h9,20H,4-8,10H2,1-3H3
InChIKeyCGIIHQDHGSQEMP-UHFFFAOYSA-N
XLogP1.70
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate
CID 114230720
ethyl 2-[(1-hydroxycyclopentyl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 83180495
1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 115774269
1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114383264
ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 72879162
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 4-chloro-2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-5-carboxylate
CID 168948233
ethyl 2-[(3-amino-3-sulfanylidenepropyl)-propan-2-ylamino]-4-methylpyrimidine-5-carboxylate
CID 83179890
ethyl 2-[benzyl(methyl)amino]-4-phenylpyrimidine-5-carboxylate
CID 68644845

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate (CID 115967591) is ethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(N(C)CC2(O)CCCC2)nc1C.
What is the InChIKey of ethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate?
The InChIKey is CGIIHQDHGSQEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-21-13(19)12-9-16-14(17-11(12)2)18(3)10-15(20)7-5-6-8-15/h9,20H,4-8,10H2,1-3H3.
What are the key properties of ethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate?
ethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 115967591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).