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

C13H19N3O3 — CID 114214491

IUPACmethyl 4-[(2-hydroxycyclopentyl)methylamino]-2-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C)nc1NCC1CCCC1O
InChIInChI=1S/C13H19N3O3/c1-8-14-7-10(13(18)19-2)12(16-8)15-6-9-4-3-5-11(9)17/h7,9,11,17H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyNQMTVPZOSJDFSH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.14
Rot. Bonds4

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

methyl 4-[(2-hydroxycyclopentyl)methylamino]-2-methylpyrimidine-5-carboxylate (PubChem CID 114214491) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 4-[(2-hydroxycyclopentyl)methylamino]-2-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-hydroxycyclopentyl)methylamino]-2-methylpyrimidine-5-carboxylate
PubChem CID114214491
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 4-[(2-hydroxycyclopentyl)methylamino]-2-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C)nc1NCC1CCCC1O
InChIInChI=1S/C13H19N3O3/c1-8-14-7-10(13(18)19-2)12(16-8)15-6-9-4-3-5-11(9)17/h7,9,11,17H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyNQMTVPZOSJDFSH-UHFFFAOYSA-N
XLogP1.14
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate
CID 114214129
methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate
CID 114214671
methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate
CID 114214814
methyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate
CID 114214096
2-[[(5-methoxy-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 106504158
methyl 4-[(3-hydroxycyclohexyl)methylamino]pyrimidine-5-carboxylate
CID 114214881
methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate
CID 114214014
methyl 2-methyl-4-(2-thiophen-3-ylethylamino)pyrimidine-5-carboxylate
CID 114214204
methyl 4-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpyrimidine-5-carboxylate
CID 114214772
methyl 4-(4-hydroxypentan-2-ylamino)-2-methylpyrimidine-5-carboxylate
CID 114214600
2-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 66326314
methyl 4-cyclohexylsulfanyl-2-methylpyrimidine-5-carboxylate
CID 114214963

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-hydroxycyclopentyl)methylamino]-2-methylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-[(2-hydroxycyclopentyl)methylamino]-2-methylpyrimidine-5-carboxylate (CID 114214491) is methyl 4-[(2-hydroxycyclopentyl)methylamino]-2-methylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-[(2-hydroxycyclopentyl)methylamino]-2-methylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-[(2-hydroxycyclopentyl)methylamino]-2-methylpyrimidine-5-carboxylate is COC(=O)c1cnc(C)nc1NCC1CCCC1O.
What is the InChIKey of methyl 4-[(2-hydroxycyclopentyl)methylamino]-2-methylpyrimidine-5-carboxylate?
The InChIKey is NQMTVPZOSJDFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-14-7-10(13(18)19-2)12(16-8)15-6-9-4-3-5-11(9)17/h7,9,11,17H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of methyl 4-[(2-hydroxycyclopentyl)methylamino]-2-methylpyrimidine-5-carboxylate?
methyl 4-[(2-hydroxycyclopentyl)methylamino]-2-methylpyrimidine-5-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-hydroxycyclopentyl)methylamino]-2-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 114214491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).