[2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine

C13H23N5O — CID 80979368

IUPAC[2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
SMILESCC(C)c1nc(NN)cc(OCCN2CCCC2)n1
InChIInChI=1S/C13H23N5O/c1-10(2)13-15-11(17-14)9-12(16-13)19-8-7-18-5-3-4-6-18/h9-10H,3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyFKTDNNLBAVOGHE-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.36
Rot. Bonds6

About [2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine

[2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80979368) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is [2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
PubChem CID80979368
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name[2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
SMILESCC(C)c1nc(NN)cc(OCCN2CCCC2)n1
InChIInChI=1S/C13H23N5O/c1-10(2)13-15-11(17-14)9-12(16-13)19-8-7-18-5-3-4-6-18/h9-10H,3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyFKTDNNLBAVOGHE-UHFFFAOYSA-N
XLogP1.36
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
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

N-methyl-2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80962688
[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80920622
[2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80947584
[2-cyclopropyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80980380
N-[2-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
CID 115506035
(2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine
CID 80968837
(6-butan-2-yloxy-2-propan-2-ylpyrimidin-4-yl)hydrazine
CID 80969257
6-hydrazinyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80964286
N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80870434
6-hydrazinyl-N-piperidin-1-yl-2-propan-2-ylpyrimidin-4-amine
CID 83027793
[6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980065
6-hydrazinyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106327653

Frequently Asked Questions

What is the IUPAC name of [2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine (CID 80979368) is [2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine is CC(C)c1nc(NN)cc(OCCN2CCCC2)n1.
What is the InChIKey of [2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is FKTDNNLBAVOGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10(2)13-15-11(17-14)9-12(16-13)19-8-7-18-5-3-4-6-18/h9-10H,3-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of [2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine?
[2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 265.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80979368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).