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

C13H18N4O — CID 80786241

IUPAC4-N-(1-methoxypropan-2-yl)-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NC(C)COC)c2ccccc2n1
InChIInChI=1S/C13H18N4O/c1-9(8-18-3)15-12-10-6-4-5-7-11(10)16-13(14-2)17-12/h4-7,9H,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyOJQXIUFGPDIKDO-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.12
Rot. Bonds5

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

4-N-(1-methoxypropan-2-yl)-2-N-methylquinazoline-2,4-diamine (PubChem CID 80786241) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-N-(1-methoxypropan-2-yl)-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-methoxypropan-2-yl)-2-N-methylquinazoline-2,4-diamine
PubChem CID80786241
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-N-(1-methoxypropan-2-yl)-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NC(C)COC)c2ccccc2n1
InChIInChI=1S/C13H18N4O/c1-9(8-18-3)15-12-10-6-4-5-7-11(10)16-13(14-2)17-12/h4-7,9H,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyOJQXIUFGPDIKDO-UHFFFAOYSA-N
XLogP2.12
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine
CID 80841877
4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine
CID 80786097
2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine
CID 80914929
2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine
CID 80782825
N-(1-ethoxypropan-2-yl)-2-hydrazinylquinazolin-4-amine
CID 80902618
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine
CID 19939147
2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine
CID 80836524
N-butan-2-yl-2-hydrazinylquinazolin-4-amine
CID 80932741
4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine
CID 90676298
4-N-(1-methoxypropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80785415
4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine
CID 80792753

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxypropan-2-yl)-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(1-methoxypropan-2-yl)-2-N-methylquinazoline-2,4-diamine (CID 80786241) is 4-N-(1-methoxypropan-2-yl)-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(1-methoxypropan-2-yl)-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(1-methoxypropan-2-yl)-2-N-methylquinazoline-2,4-diamine is CNc1nc(NC(C)COC)c2ccccc2n1.
What is the InChIKey of 4-N-(1-methoxypropan-2-yl)-2-N-methylquinazoline-2,4-diamine?
The InChIKey is OJQXIUFGPDIKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(8-18-3)15-12-10-6-4-5-7-11(10)16-13(14-2)17-12/h4-7,9H,8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-(1-methoxypropan-2-yl)-2-N-methylquinazoline-2,4-diamine?
4-N-(1-methoxypropan-2-yl)-2-N-methylquinazoline-2,4-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.12, 5 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)-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 80786241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).