[1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol

C14H25N5O — CID 80995818

IUPAC[1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESCc1c(NN)nc(C(C)(C)C)nc1N1CCCC1CO
InChIInChI=1S/C14H25N5O/c1-9-11(18-15)16-13(14(2,3)4)17-12(9)19-7-5-6-10(19)8-20/h10,20H,5-8,15H2,1-4H3,(H,16,17,18)
InChIKeyDHPRSQIQFVVHPY-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.33
Rot. Bonds3

About [1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol

[1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 80995818) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is [1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID80995818
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name[1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESCc1c(NN)nc(C(C)(C)C)nc1N1CCCC1CO
InChIInChI=1S/C14H25N5O/c1-9-11(18-15)16-13(14(2,3)4)17-12(9)19-7-5-6-10(19)8-20/h10,20H,5-8,15H2,1-4H3,(H,16,17,18)
InChIKeyDHPRSQIQFVVHPY-UHFFFAOYSA-N
XLogP1.33
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.33
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

[2-tert-butyl-6-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80994714
1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 81000899
[1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640785
(2-tert-butyl-5-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazine
CID 81006695
[1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80987896
[2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80995529
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine
CID 115563125
[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]azepan-2-yl]methanol
CID 116640740
2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80987881
[1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640681
[6-(2-ethylazepan-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 113442067
2-[1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 81000782

Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol (CID 80995818) is [1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol is Cc1c(NN)nc(C(C)(C)C)nc1N1CCCC1CO.
What is the InChIKey of [1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is DHPRSQIQFVVHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-9-11(18-15)16-13(14(2,3)4)17-12(9)19-7-5-6-10(19)8-20/h10,20H,5-8,15H2,1-4H3,(H,16,17,18).
What are the key properties of [1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
[1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 279.39 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 80995818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).