[4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol

C14H18N4O2 — CID 106296813

IUPAC[4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol
SMILESNc1ccc2ncnc(NC3(CO)CCOCC3)c2c1
InChIInChI=1S/C14H18N4O2/c15-10-1-2-12-11(7-10)13(17-9-16-12)18-14(8-19)3-5-20-6-4-14/h1-2,7,9,19H,3-6,8,15H2,(H,16,17,18)
InChIKeyRAUGKNYFPYDTSM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.17
Rot. Bonds3

About [4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol

[4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol (PubChem CID 106296813) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is [4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol
PubChem CID106296813
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name[4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol
SMILESNc1ccc2ncnc(NC3(CO)CCOCC3)c2c1
InChIInChI=1S/C14H18N4O2/c15-10-1-2-12-11(7-10)13(17-9-16-12)18-14(8-19)3-5-20-6-4-14/h1-2,7,9,19H,3-6,8,15H2,(H,16,17,18)
InChIKeyRAUGKNYFPYDTSM-UHFFFAOYSA-N
XLogP1.17
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine
CID 113488590
[4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol
CID 106296826
[4-(4-aminoanilino)oxan-4-yl]methanol
CID 106296805
[4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301168
[4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301522
3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol
CID 64587683
4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol
CID 86946176
5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile
CID 114169972
[4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106299315
ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753
4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine
CID 64587294
[4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300137

Frequently Asked Questions

What is the IUPAC name of [4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol (CID 106296813) is [4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol is Nc1ccc2ncnc(NC3(CO)CCOCC3)c2c1.
What is the InChIKey of [4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol?
The InChIKey is RAUGKNYFPYDTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-10-1-2-12-11(7-10)13(17-9-16-12)18-14(8-19)3-5-20-6-4-14/h1-2,7,9,19H,3-6,8,15H2,(H,16,17,18).
What are the key properties of [4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol?
[4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol has a molecular weight of 274.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 106296813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).