[5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol

C15H25N3O2 — CID 63970979

IUPAC[5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCOCC1CCN(c2cnc(C(C)C)nc2CO)CC1
InChIInChI=1S/C15H25N3O2/c1-11(2)15-16-8-14(13(9-19)17-15)18-6-4-12(5-7-18)10-20-3/h8,11-12,19H,4-7,9-10H2,1-3H3
InChIKeyRKIVZCKWOUCACF-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.96
Rot. Bonds5

About [5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol

[5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol (PubChem CID 63970979) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is [5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol
PubChem CID63970979
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCOCC1CCN(c2cnc(C(C)C)nc2CO)CC1
InChIInChI=1S/C15H25N3O2/c1-11(2)15-16-8-14(13(9-19)17-15)18-6-4-12(5-7-18)10-20-3/h8,11-12,19H,4-7,9-10H2,1-3H3
InChIKeyRKIVZCKWOUCACF-UHFFFAOYSA-N
XLogP1.96
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol
CID 82685023
[5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086536
[5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63635364
N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 103539456
[5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62298929
[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 81237725
2-propan-2-yl-5-(4-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 62204554
[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 63971176
1-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]azocane
CID 62088333
[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62300497
6-[4-(methoxymethyl)piperidin-1-yl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80959307
N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 62278808

Frequently Asked Questions

What is the IUPAC name of [5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol?
The IUPAC name of [5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol (CID 63970979) is [5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol.
What is the SMILES notation for [5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol?
The canonical SMILES for [5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol is COCC1CCN(c2cnc(C(C)C)nc2CO)CC1.
What is the InChIKey of [5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol?
The InChIKey is RKIVZCKWOUCACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)15-16-8-14(13(9-19)17-15)18-6-4-12(5-7-18)10-20-3/h8,11-12,19H,4-7,9-10H2,1-3H3.
What are the key properties of [5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol?
[5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol has a molecular weight of 279.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol is sourced from PubChem (CID 63970979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).