4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinazoline-4,6-diamine

C14H15N5O — CID 106369899

IUPAC4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinazoline-4,6-diamine
SMILESCc1nc(CNc2ncnc3ccc(N)cc23)oc1C
InChIInChI=1S/C14H15N5O/c1-8-9(2)20-13(19-8)6-16-14-11-5-10(15)3-4-12(11)17-7-18-14/h3-5,7H,6,15H2,1-2H3,(H,16,17,18)
InChIKeyPDIPDKSFPWQUHA-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.43
Rot. Bonds3

About 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinazoline-4,6-diamine

4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinazoline-4,6-diamine (PubChem CID 106369899) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinazoline-4,6-diamine
PubChem CID106369899
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinazoline-4,6-diamine
SMILESCc1nc(CNc2ncnc3ccc(N)cc23)oc1C
InChIInChI=1S/C14H15N5O/c1-8-9(2)20-13(19-8)6-16-14-11-5-10(15)3-4-12(11)17-7-18-14/h3-5,7H,6,15H2,1-2H3,(H,16,17,18)
InChIKeyPDIPDKSFPWQUHA-UHFFFAOYSA-N
XLogP2.43
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(5-chlorothiophen-2-yl)methyl]quinazoline-4,6-diamine
CID 64589914
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 106378791
5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 106378774
4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine
CID 64590253
ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753
4-N-(1,3-benzodioxol-5-ylmethyl)quinazoline-4,6-diamine
CID 89036055
3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol
CID 64587683
2-chloro-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine
CID 106369962
4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine
CID 103004388
4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine
CID 64587294
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106369295
1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107150871

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinazoline-4,6-diamine (CID 106369899) is 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinazoline-4,6-diamine is Cc1nc(CNc2ncnc3ccc(N)cc23)oc1C.
What is the InChIKey of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinazoline-4,6-diamine?
The InChIKey is PDIPDKSFPWQUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8-9(2)20-13(19-8)6-16-14-11-5-10(15)3-4-12(11)17-7-18-14/h3-5,7H,6,15H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinazoline-4,6-diamine?
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinazoline-4,6-diamine has a molecular weight of 269.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinazoline-4,6-diamine is sourced from PubChem (CID 106369899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).