2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine

C14H18N4O — CID 80829880

IUPAC2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine
SMILESCNc1nc(NC2CCCOC2)c2ccccc2n1
InChIInChI=1S/C14H18N4O/c1-15-14-17-12-7-3-2-6-11(12)13(18-14)16-10-5-4-8-19-9-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,15,16,17,18)
InChIKeyLZJDNGHUCUOTFW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.26
Rot. Bonds3

About 2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine

2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine (PubChem CID 80829880) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine
PubChem CID80829880
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine
SMILESCNc1nc(NC2CCCOC2)c2ccccc2n1
InChIInChI=1S/C14H18N4O/c1-15-14-17-12-7-3-2-6-11(12)13(18-14)16-10-5-4-8-19-9-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,15,16,17,18)
InChIKeyLZJDNGHUCUOTFW-UHFFFAOYSA-N
XLogP2.26
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine (CID 80829880) is 2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine is CNc1nc(NC2CCCOC2)c2ccccc2n1.
What is the InChIKey of 2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine?
The InChIKey is LZJDNGHUCUOTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-15-14-17-12-7-3-2-6-11(12)13(18-14)16-10-5-4-8-19-9-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine?
2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 80829880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).