1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol

C11H18N4O2 — CID 113401369

IUPAC1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol
SMILESCOCc1nc(N)cc(N2CCCC(O)C2)n1
InChIInChI=1S/C11H18N4O2/c1-17-7-10-13-9(12)5-11(14-10)15-4-2-3-8(16)6-15/h5,8,16H,2-4,6-7H2,1H3,(H2,12,13,14)
InChIKeyHBTBARAYFVOTJY-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.17
Rot. Bonds3

About 1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol

1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol (PubChem CID 113401369) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol
PubChem CID113401369
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol
SMILESCOCc1nc(N)cc(N2CCCC(O)C2)n1
InChIInChI=1S/C11H18N4O2/c1-17-7-10-13-9(12)5-11(14-10)15-4-2-3-8(16)6-15/h5,8,16H,2-4,6-7H2,1H3,(H2,12,13,14)
InChIKeyHBTBARAYFVOTJY-UHFFFAOYSA-N
XLogP0.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 113401270
1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80935425
2-(methoxymethyl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-amine
CID 113419522
2-(methoxymethyl)-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 113401273
2-(methoxymethyl)-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 113401412
6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine
CID 102971529
6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methoxymethyl)pyrimidin-4-amine
CID 113401386
(3R)-1-[6-amino-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-yl]piperidin-3-ol
CID 97208693
1-(6-amino-2-ethylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114684034
1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
CID 113401025
1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol
CID 47151307
1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 56769856

Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol (CID 113401369) is 1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol is COCc1nc(N)cc(N2CCCC(O)C2)n1.
What is the InChIKey of 1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is HBTBARAYFVOTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-17-7-10-13-9(12)5-11(14-10)15-4-2-3-8(16)6-15/h5,8,16H,2-4,6-7H2,1H3,(H2,12,13,14).
What are the key properties of 1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol?
1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 238.29 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 113401369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).