6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine

C15H19N5O — CID 115916260

IUPAC6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
SMILESNNc1cc(NCC2CCCO2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H19N5O/c16-20-14-9-13(17-10-12-7-4-8-21-12)18-15(19-14)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10,16H2,(H2,17,18,19,20)
InChIKeyXYYDJBSQZOLFNU-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.02
Rot. Bonds5

About 6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine

6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine (PubChem CID 115916260) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
PubChem CID115916260
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
SMILESNNc1cc(NCC2CCCO2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H19N5O/c16-20-14-9-13(17-10-12-7-4-8-21-12)18-15(19-14)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10,16H2,(H2,17,18,19,20)
InChIKeyXYYDJBSQZOLFNU-UHFFFAOYSA-N
XLogP2.02
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.02
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

4-N-cycloheptyl-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880638
6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880613
6-N-[(2-fluorophenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880618
2-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80938700
4-N-(4-chloro-2-methylphenyl)-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880669
2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80963825
4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine
CID 112880661
6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
CID 112880607
4-N-(2-ethoxyphenyl)-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880675
4-N-(3-chloro-2-methylphenyl)-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880667
4-[6-(oxolan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112880609
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
CID 112880634

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine (CID 115916260) is 6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine is NNc1cc(NCC2CCCO2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine?
The InChIKey is XYYDJBSQZOLFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-20-14-9-13(17-10-12-7-4-8-21-12)18-15(19-14)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10,16H2,(H2,17,18,19,20).
What are the key properties of 6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine?
6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine has a molecular weight of 285.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 115916260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).