2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine

C15H22N4 — CID 80770804

IUPAC2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine
SMILESCCCC(C)Nc1nc(NCC)nc2ccccc12
InChIInChI=1S/C15H22N4/c1-4-8-11(3)17-14-12-9-6-7-10-13(12)18-15(19-14)16-5-2/h6-7,9-11H,4-5,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyMWXDCHKYLGZJLX-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.66
Rot. Bonds6

About 2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine

2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine (PubChem CID 80770804) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine
PubChem CID80770804
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine
SMILESCCCC(C)Nc1nc(NCC)nc2ccccc12
InChIInChI=1S/C15H22N4/c1-4-8-11(3)17-14-12-9-6-7-10-13(12)18-15(19-14)16-5-2/h6-7,9-11H,4-5,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyMWXDCHKYLGZJLX-UHFFFAOYSA-N
XLogP3.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine (CID 80770804) is 2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine is CCCC(C)Nc1nc(NCC)nc2ccccc12.
What is the InChIKey of 2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine?
The InChIKey is MWXDCHKYLGZJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-8-11(3)17-14-12-9-6-7-10-13(12)18-15(19-14)16-5-2/h6-7,9-11H,4-5,8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine?
2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine is sourced from PubChem (CID 80770804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).