1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol

C14H24N4O2 — CID 114679313

IUPAC1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol
SMILESCOCCNCc1cnc(N2CCC(O)C(C)C2)nc1
InChIInChI=1S/C14H24N4O2/c1-11-10-18(5-3-13(11)19)14-16-8-12(9-17-14)7-15-4-6-20-2/h8-9,11,13,15,19H,3-7,10H2,1-2H3
InChIKeySWXQTIHXWNUXSB-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.42
Rot. Bonds6

About 1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol

1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol (PubChem CID 114679313) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol
PubChem CID114679313
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol
SMILESCOCCNCc1cnc(N2CCC(O)C(C)C2)nc1
InChIInChI=1S/C14H24N4O2/c1-11-10-18(5-3-13(11)19)14-16-8-12(9-17-14)7-15-4-6-20-2/h8-9,11,13,15,19H,3-7,10H2,1-2H3
InChIKeySWXQTIHXWNUXSB-UHFFFAOYSA-N
XLogP0.42
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol
CID 114798536
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 103535978
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670459
N-[[6-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636085
N-[[2-(7,7-dimethyl-1,4-thiazepan-4-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 107457104
3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 102536443
N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 64985792
2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80638789
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 80631598
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol
CID 102960923
1-[2,6-difluoro-4-(propylaminomethyl)phenyl]-3-methylpiperidin-4-ol
CID 114679353
8-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80638259

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol (CID 114679313) is 1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol is COCCNCc1cnc(N2CCC(O)C(C)C2)nc1.
What is the InChIKey of 1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol?
The InChIKey is SWXQTIHXWNUXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11-10-18(5-3-13(11)19)14-16-8-12(9-17-14)7-15-4-6-20-2/h8-9,11,13,15,19H,3-7,10H2,1-2H3.
What are the key properties of 1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol?
1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol has a molecular weight of 280.37 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114679313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).