methyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate

C13H19N3O3 — CID 106127799

IUPACmethyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCC2CCC(O)C2)n1
InChIInChI=1S/C13H19N3O3/c1-8-5-11(16-12(15-8)13(18)19-2)14-7-9-3-4-10(17)6-9/h5,9-10,17H,3-4,6-7H2,1-2H3,(H,14,15,16)
InChIKeyGFCXLPUUCQRAAN-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.14
Rot. Bonds4

About methyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate

methyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate (PubChem CID 106127799) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate
PubChem CID106127799
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCC2CCC(O)C2)n1
InChIInChI=1S/C13H19N3O3/c1-8-5-11(16-12(15-8)13(18)19-2)14-7-9-3-4-10(17)6-9/h5,9-10,17H,3-4,6-7H2,1-2H3,(H,14,15,16)
InChIKeyGFCXLPUUCQRAAN-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-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate
CID 66285498
methyl 4-(1,4-dioxan-2-ylmethylamino)-6-methylpyrimidine-2-carboxylate
CID 66287050
methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
CID 66284897
methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285824
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015
3-[[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137938
methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285067
2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 106137549
methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284805
3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137939
3-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307925
methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate
CID 66285017

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate (CID 106127799) is methyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NCC2CCC(O)C2)n1.
What is the InChIKey of methyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate?
The InChIKey is GFCXLPUUCQRAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-5-11(16-12(15-8)13(18)19-2)14-7-9-3-4-10(17)6-9/h5,9-10,17H,3-4,6-7H2,1-2H3,(H,14,15,16).
What are the key properties of methyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate?
methyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-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-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 106127799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).