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

C12H20N4O2 — CID 106473568

IUPAC[2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
SMILESCCCC(OC)c1nc2c(c(NN)n1)COCC2
InChIInChI=1S/C12H20N4O2/c1-3-4-10(17-2)12-14-9-5-6-18-7-8(9)11(15-12)16-13/h10H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyDDWXSMVBRQHEJM-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.32
Rot. Bonds5

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

[2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 106473568) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is [2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
PubChem CID106473568
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name[2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
SMILESCCCC(OC)c1nc2c(c(NN)n1)COCC2
InChIInChI=1S/C12H20N4O2/c1-3-4-10(17-2)12-14-9-5-6-18-7-8(9)11(15-12)16-13/h10H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyDDWXSMVBRQHEJM-UHFFFAOYSA-N
XLogP1.32
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.32
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-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473586
2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472079
(2-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)hydrazine
CID 106473388
2-(1-methoxybutyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 116729133
2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728659
4-chloro-2-(1-methoxybutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 116706258
[2-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473449
2-(1-methylsulfonylethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472555
[2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473417
4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470581
[2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473502
[2-(4-propan-2-ylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473602

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine (CID 106473568) is [2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine is CCCC(OC)c1nc2c(c(NN)n1)COCC2.
What is the InChIKey of [2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is DDWXSMVBRQHEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-4-10(17-2)12-14-9-5-6-18-7-8(9)11(15-12)16-13/h10H,3-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of [2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
[2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 252.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106473568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).