2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine

C16H25N5 — CID 102908996

IUPAC2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine
SMILESCC(C)C(CNc1nc(NN)nc2ccccc12)C(C)C
InChIInChI=1S/C16H25N5/c1-10(2)13(11(3)4)9-18-15-12-7-5-6-8-14(12)19-16(20-15)21-17/h5-8,10-11,13H,9,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyCEXBTLMSOYWKHX-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.26
Rot. Bonds6

About 2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine

2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine (PubChem CID 102908996) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine
PubChem CID102908996
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine
SMILESCC(C)C(CNc1nc(NN)nc2ccccc12)C(C)C
InChIInChI=1S/C16H25N5/c1-10(2)13(11(3)4)9-18-15-12-7-5-6-8-14(12)19-16(20-15)21-17/h5-8,10-11,13H,9,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyCEXBTLMSOYWKHX-UHFFFAOYSA-N
XLogP3.26
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine (CID 102908996) is 2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine is CC(C)C(CNc1nc(NN)nc2ccccc12)C(C)C.
What is the InChIKey of 2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine?
The InChIKey is CEXBTLMSOYWKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-10(2)13(11(3)4)9-18-15-12-7-5-6-8-14(12)19-16(20-15)21-17/h5-8,10-11,13H,9,17H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine?
2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine is sourced from PubChem (CID 102908996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).