[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]methanol

C12H17N3O2 — CID 114411420

IUPAC[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]methanol
SMILESCOCC1=CCN(c2ncc(CO)cn2)CC1
InChIInChI=1S/C12H17N3O2/c1-17-9-10-2-4-15(5-3-10)12-13-6-11(8-16)7-14-12/h2,6-7,16H,3-5,8-9H2,1H3
InChIKeyGGTHFDMRTRVISM-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.75
Rot. Bonds4

About [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]methanol

[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]methanol (PubChem CID 114411420) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]methanol
PubChem CID114411420
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]methanol
SMILESCOCC1=CCN(c2ncc(CO)cn2)CC1
InChIInChI=1S/C12H17N3O2/c1-17-9-10-2-4-15(5-3-10)12-13-6-11(8-16)7-14-12/h2,6-7,16H,3-5,8-9H2,1H3
InChIKeyGGTHFDMRTRVISM-UHFFFAOYSA-N
XLogP0.75
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]methanol?
The IUPAC name of [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]methanol (CID 114411420) is [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]methanol?
The canonical SMILES for [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]methanol is COCC1=CCN(c2ncc(CO)cn2)CC1.
What is the InChIKey of [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]methanol?
The InChIKey is GGTHFDMRTRVISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-9-10-2-4-15(5-3-10)12-13-6-11(8-16)7-14-12/h2,6-7,16H,3-5,8-9H2,1H3.
What are the key properties of [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]methanol?
[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]methanol has a molecular weight of 235.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]methanol is sourced from PubChem (CID 114411420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).