2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine

C12H12N6O — CID 106411968

IUPAC2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine
SMILESCNc1nc(NCc2ncon2)c2ccccc2n1
InChIInChI=1S/C12H12N6O/c1-13-12-16-9-5-3-2-4-8(9)11(17-12)14-6-10-15-7-19-18-10/h2-5,7H,6H2,1H3,(H2,13,14,16,17)
InChIKeyAFGDTHQGNFGUBN-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.67
Rot. Bonds4

About 2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine

2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine (PubChem CID 106411968) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine
PubChem CID106411968
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine
SMILESCNc1nc(NCc2ncon2)c2ccccc2n1
InChIInChI=1S/C12H12N6O/c1-13-12-16-9-5-3-2-4-8(9)11(17-12)14-6-10-15-7-19-18-10/h2-5,7H,6H2,1H3,(H2,13,14,16,17)
InChIKeyAFGDTHQGNFGUBN-UHFFFAOYSA-N
XLogP1.67
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine
CID 106405493
2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106411875
2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine
CID 106424669
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80773003
2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine
CID 80796871
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine
CID 106402958
4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine
CID 80803693
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine
CID 80812879
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine
CID 80792753

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine (CID 106411968) is 2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine is CNc1nc(NCc2ncon2)c2ccccc2n1.
What is the InChIKey of 2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is AFGDTHQGNFGUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-13-12-16-9-5-3-2-4-8(9)11(17-12)14-6-10-15-7-19-18-10/h2-5,7H,6H2,1H3,(H2,13,14,16,17).
What are the key properties of 2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine?
2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 256.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 106411968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).