[2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine

C13H22N4O2 — CID 106473586

IUPAC[2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
SMILESCOC(c1nc2c(c(NN)n1)COCC2)C(C)(C)C
InChIInChI=1S/C13H22N4O2/c1-13(2,3)10(18-4)12-15-9-5-6-19-7-8(9)11(16-12)17-14/h10H,5-7,14H2,1-4H3,(H,15,16,17)
InChIKeyGXEAIBDZZIJOCN-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.57
Rot. Bonds3

About [2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine

[2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 106473586) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
PubChem CID106473586
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name[2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
SMILESCOC(c1nc2c(c(NN)n1)COCC2)C(C)(C)C
InChIInChI=1S/C13H22N4O2/c1-13(2,3)10(18-4)12-15-9-5-6-19-7-8(9)11(16-12)17-14/h10H,5-7,14H2,1-4H3,(H,15,16,17)
InChIKeyGXEAIBDZZIJOCN-UHFFFAOYSA-N
XLogP1.57
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.57
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

[2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473568
[2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 116730417
2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728661
(2-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)hydrazine
CID 106473388
[2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473417
[2-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473449
[2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473502
N-ethyl-2-(2-methoxypropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472464
[2-(4-chloro-2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106819770
[2-(4-propan-2-ylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473602
2-(1-methylsulfonylethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472555
N-ethyl-2-(2-methoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472447

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine (CID 106473586) is [2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine is COC(c1nc2c(c(NN)n1)COCC2)C(C)(C)C.
What is the InChIKey of [2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is GXEAIBDZZIJOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)10(18-4)12-15-9-5-6-19-7-8(9)11(16-12)17-14/h10H,5-7,14H2,1-4H3,(H,15,16,17).
What are the key properties of [2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
[2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 266.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106473586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).