4-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine

C19H22N4O — CID 509563

IUPAC4-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESCC(C)Oc1ccc(CCNc2ncnc3ccc(N)cc23)cc1
InChIInChI=1S/C19H22N4O/c1-13(2)24-16-6-3-14(4-7-16)9-10-21-19-17-11-15(20)5-8-18(17)22-12-23-19/h3-8,11-13H,9-10,20H2,1-2H3,(H,21,22,23)
InChIKeyQOTWKHXEGRHSAV-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.65
Rot. Bonds6

About 4-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine

4-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine (PubChem CID 509563) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine
PubChem CID509563
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESCC(C)Oc1ccc(CCNc2ncnc3ccc(N)cc23)cc1
InChIInChI=1S/C19H22N4O/c1-13(2)24-16-6-3-14(4-7-16)9-10-21-19-17-11-15(20)5-8-18(17)22-12-23-19/h3-8,11-13H,9-10,20H2,1-2H3,(H,21,22,23)
InChIKeyQOTWKHXEGRHSAV-UHFFFAOYSA-N
XLogP3.65
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine (CID 509563) is 4-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine is CC(C)Oc1ccc(CCNc2ncnc3ccc(N)cc23)cc1.
What is the InChIKey of 4-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine?
The InChIKey is QOTWKHXEGRHSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(2)24-16-6-3-14(4-7-16)9-10-21-19-17-11-15(20)5-8-18(17)22-12-23-19/h3-8,11-13H,9-10,20H2,1-2H3,(H,21,22,23).
What are the key properties of 4-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine?
4-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine has a molecular weight of 322.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine is sourced from PubChem (CID 509563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).