4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine

C12H16N4O — CID 80786097

IUPAC4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine
SMILESCOCC(C)Nc1nc(N)nc2ccccc12
InChIInChI=1S/C12H16N4O/c1-8(7-17-2)14-11-9-5-3-4-6-10(9)15-12(13)16-11/h3-6,8H,7H2,1-2H3,(H3,13,14,15,16)
InChIKeyPQVMOWZRZPNOQP-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.66
Rot. Bonds4

About 4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine

4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine (PubChem CID 80786097) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine
PubChem CID80786097
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine
SMILESCOCC(C)Nc1nc(N)nc2ccccc12
InChIInChI=1S/C12H16N4O/c1-8(7-17-2)14-11-9-5-3-4-6-10(9)15-12(13)16-11/h3-6,8H,7H2,1-2H3,(H3,13,14,15,16)
InChIKeyPQVMOWZRZPNOQP-UHFFFAOYSA-N
XLogP1.66
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine (CID 80786097) is 4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine is COCC(C)Nc1nc(N)nc2ccccc12.
What is the InChIKey of 4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine?
The InChIKey is PQVMOWZRZPNOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(7-17-2)14-11-9-5-3-4-6-10(9)15-12(13)16-11/h3-6,8H,7H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine?
4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 80786097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).