4-(methoxymethyl)-6-methyl-2-[[1-(4-propylphenyl)piperidin-4-yl]methyl]pyrimidin-5-ol

C22H31N3O2 — CID 70965890

IUPAC4-(methoxymethyl)-6-methyl-2-[[1-(4-propylphenyl)piperidin-4-yl]methyl]pyrimidin-5-ol
SMILESCCCc1ccc(N2CCC(Cc3nc(C)c(O)c(COC)n3)CC2)cc1
InChIInChI=1S/C22H31N3O2/c1-4-5-17-6-8-19(9-7-17)25-12-10-18(11-13-25)14-21-23-16(2)22(26)20(24-21)15-27-3/h6-9,18,26H,4-5,10-15H2,1-3H3
InChIKeyBUDSYWNOTKCZQF-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.05
Rot. Bonds7

About 4-(methoxymethyl)-6-methyl-2-[[1-(4-propylphenyl)piperidin-4-yl]methyl]pyrimidin-5-ol

4-(methoxymethyl)-6-methyl-2-[[1-(4-propylphenyl)piperidin-4-yl]methyl]pyrimidin-5-ol (PubChem CID 70965890) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-2-[[1-(4-propylphenyl)piperidin-4-yl]methyl]pyrimidin-5-ol.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-2-[[1-(4-propylphenyl)piperidin-4-yl]methyl]pyrimidin-5-ol
PubChem CID70965890
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name4-(methoxymethyl)-6-methyl-2-[[1-(4-propylphenyl)piperidin-4-yl]methyl]pyrimidin-5-ol
SMILESCCCc1ccc(N2CCC(Cc3nc(C)c(O)c(COC)n3)CC2)cc1
InChIInChI=1S/C22H31N3O2/c1-4-5-17-6-8-19(9-7-17)25-12-10-18(11-13-25)14-21-23-16(2)22(26)20(24-21)15-27-3/h6-9,18,26H,4-5,10-15H2,1-3H3
InChIKeyBUDSYWNOTKCZQF-UHFFFAOYSA-N
XLogP4.05
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[6-(Methoxymethyl)-2-phenylpyrimidin-4-yl]morpholine
CID 1476663
Methyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl ether
CID 1476667
2-[(3-Fluoro-4-phenylphenyl)methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol
CID 70965773
2-[[1-(4-Fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol
CID 70965826
2-[[1-(4-Fluoro-2-methylphenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol
CID 70965898
2-[[1-(4-Fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylsulfanylpyrimidin-5-ol
CID 70965914
4-Methyl-6-(phenylmethoxymethyl)pyrimidin-5-ol
CID 15185148
4-[(3,4-Difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine
CID 110115980
4-[(2,5-Difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine
CID 110115981
4-[(2,4-Difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine
CID 110115988
4-[(2,3-Difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine
CID 110115989
(2S)-4-[(3,4-difluorophenyl)methyl]-2-(2,6-dimethylpyrimidin-4-yl)morpholine
CID 124968656

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-2-[[1-(4-propylphenyl)piperidin-4-yl]methyl]pyrimidin-5-ol?
The IUPAC name of 4-(methoxymethyl)-6-methyl-2-[[1-(4-propylphenyl)piperidin-4-yl]methyl]pyrimidin-5-ol (CID 70965890) is 4-(methoxymethyl)-6-methyl-2-[[1-(4-propylphenyl)piperidin-4-yl]methyl]pyrimidin-5-ol.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-2-[[1-(4-propylphenyl)piperidin-4-yl]methyl]pyrimidin-5-ol?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-2-[[1-(4-propylphenyl)piperidin-4-yl]methyl]pyrimidin-5-ol is CCCc1ccc(N2CCC(Cc3nc(C)c(O)c(COC)n3)CC2)cc1.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-2-[[1-(4-propylphenyl)piperidin-4-yl]methyl]pyrimidin-5-ol?
The InChIKey is BUDSYWNOTKCZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-4-5-17-6-8-19(9-7-17)25-12-10-18(11-13-25)14-21-23-16(2)22(26)20(24-21)15-27-3/h6-9,18,26H,4-5,10-15H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-6-methyl-2-[[1-(4-propylphenyl)piperidin-4-yl]methyl]pyrimidin-5-ol?
4-(methoxymethyl)-6-methyl-2-[[1-(4-propylphenyl)piperidin-4-yl]methyl]pyrimidin-5-ol has a molecular weight of 369.51 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-2-[[1-(4-propylphenyl)piperidin-4-yl]methyl]pyrimidin-5-ol is sourced from PubChem (CID 70965890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).