N-(4-propan-2-yloxy-3-pyridinyl)quinazolin-2-amine

C16H16N4O — CID 91416949

IUPACN-(4-propan-2-yloxy-3-pyridinyl)quinazolin-2-amine
SMILESCC(C)Oc1ccncc1Nc1ncc2ccccc2n1
InChIInChI=1S/C16H16N4O/c1-11(2)21-15-7-8-17-10-14(15)20-16-18-9-12-5-3-4-6-13(12)19-16/h3-11H,1-2H3,(H,18,19,20)
InChIKeyJKRJIUDYMADLNG-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.56
Rot. Bonds4

About N-(4-propan-2-yloxy-3-pyridinyl)quinazolin-2-amine

N-(4-propan-2-yloxy-3-pyridinyl)quinazolin-2-amine (PubChem CID 91416949) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(4-propan-2-yloxy-3-pyridinyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(4-propan-2-yloxy-3-pyridinyl)quinazolin-2-amine
PubChem CID91416949
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(4-propan-2-yloxy-3-pyridinyl)quinazolin-2-amine
SMILESCC(C)Oc1ccncc1Nc1ncc2ccccc2n1
InChIInChI=1S/C16H16N4O/c1-11(2)21-15-7-8-17-10-14(15)20-16-18-9-12-5-3-4-6-13(12)19-16/h3-11H,1-2H3,(H,18,19,20)
InChIKeyJKRJIUDYMADLNG-UHFFFAOYSA-N
XLogP3.56
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)quinazolin-2-amine
CID 23056755
6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87944456
N-(4-propan-2-yloxybutyl)quinazolin-2-amine
CID 106012372
1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112905125
3-methoxy-4-propan-2-yloxypyridine
CID 167334924
N-(4-pyrazol-1-ylphenyl)quinazolin-2-amine
CID 150460233
methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate
CID 114788545
N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine
CID 114788824
1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine
CID 154515167
N-(2-phenylpropyl)quinazolin-2-amine
CID 114789270
N-(4-bromopentan-2-yl)quinazolin-2-amine
CID 114789890

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxy-3-pyridinyl)quinazolin-2-amine?
The IUPAC name of N-(4-propan-2-yloxy-3-pyridinyl)quinazolin-2-amine (CID 91416949) is N-(4-propan-2-yloxy-3-pyridinyl)quinazolin-2-amine.
What is the SMILES notation for N-(4-propan-2-yloxy-3-pyridinyl)quinazolin-2-amine?
The canonical SMILES for N-(4-propan-2-yloxy-3-pyridinyl)quinazolin-2-amine is CC(C)Oc1ccncc1Nc1ncc2ccccc2n1.
What is the InChIKey of N-(4-propan-2-yloxy-3-pyridinyl)quinazolin-2-amine?
The InChIKey is JKRJIUDYMADLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11(2)21-15-7-8-17-10-14(15)20-16-18-9-12-5-3-4-6-13(12)19-16/h3-11H,1-2H3,(H,18,19,20).
What are the key properties of N-(4-propan-2-yloxy-3-pyridinyl)quinazolin-2-amine?
N-(4-propan-2-yloxy-3-pyridinyl)quinazolin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxy-3-pyridinyl)quinazolin-2-amine is sourced from PubChem (CID 91416949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).