[1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol

C13H23N5O — CID 80964876

IUPAC[1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCC(C)c1nc(NN)cc(N2CCCC(CO)C2)n1
InChIInChI=1S/C13H23N5O/c1-9(2)13-15-11(17-14)6-12(16-13)18-5-3-4-10(7-18)8-19/h6,9-10,19H,3-5,7-8,14H2,1-2H3,(H,15,16,17)
InChIKeyQMPLUNQSYQMQQN-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.09
Rot. Bonds4

About [1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol

[1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 80964876) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is [1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID80964876
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name[1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCC(C)c1nc(NN)cc(N2CCCC(CO)C2)n1
InChIInChI=1S/C13H23N5O/c1-9(2)13-15-11(17-14)6-12(16-13)18-5-3-4-10(7-18)8-19/h6,9-10,19H,3-5,7-8,14H2,1-2H3,(H,15,16,17)
InChIKeyQMPLUNQSYQMQQN-UHFFFAOYSA-N
XLogP1.09
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969411
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629749
[1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629757
[6-(3,5-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969211
[1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 80933961
6-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 106590173
[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol
CID 80792404
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80968593
[1-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 80967620
[6-(3,3-diethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80968492
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80963982
[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]methanol
CID 113380422

Frequently Asked Questions

What is the IUPAC name of [1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol (CID 80964876) is [1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol is CC(C)c1nc(NN)cc(N2CCCC(CO)C2)n1.
What is the InChIKey of [1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is QMPLUNQSYQMQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9(2)13-15-11(17-14)6-12(16-13)18-5-3-4-10(7-18)8-19/h6,9-10,19H,3-5,7-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of [1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
[1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 265.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 80964876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).