2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine

C13H18N4 — CID 80770166

IUPAC2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
SMILESCNc1nc(NCC(C)C)c2ccccc2n1
InChIInChI=1S/C13H18N4/c1-9(2)8-15-12-10-6-4-5-7-11(10)16-13(14-3)17-12/h4-7,9H,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyFYAOQZNGTWCMOK-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.74
Rot. Bonds4

About 2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine

2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine (PubChem CID 80770166) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
PubChem CID80770166
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
SMILESCNc1nc(NCC(C)C)c2ccccc2n1
InChIInChI=1S/C13H18N4/c1-9(2)8-15-12-10-6-4-5-7-11(10)16-13(14-3)17-12/h4-7,9H,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyFYAOQZNGTWCMOK-UHFFFAOYSA-N
XLogP2.74
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine (CID 80770166) is 2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine is CNc1nc(NCC(C)C)c2ccccc2n1.
What is the InChIKey of 2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine?
The InChIKey is FYAOQZNGTWCMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)8-15-12-10-6-4-5-7-11(10)16-13(14-3)17-12/h4-7,9H,8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine?
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine has a molecular weight of 230.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80770166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).