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

C16H24N4 — CID 80793521

IUPAC2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine
SMILESCCNc1nc(N(C)C(C)C(C)C)c2ccccc2n1
InChIInChI=1S/C16H24N4/c1-6-17-16-18-14-10-8-7-9-13(14)15(19-16)20(5)12(4)11(2)3/h7-12H,6H2,1-5H3,(H,17,18,19)
InChIKeyPBPNKXDQLMGEQC-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.54
Rot. Bonds5

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

2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine (PubChem CID 80793521) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine
PubChem CID80793521
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine
SMILESCCNc1nc(N(C)C(C)C(C)C)c2ccccc2n1
InChIInChI=1S/C16H24N4/c1-6-17-16-18-14-10-8-7-9-13(14)15(19-16)20(5)12(4)11(2)3/h7-12H,6H2,1-5H3,(H,17,18,19)
InChIKeyPBPNKXDQLMGEQC-UHFFFAOYSA-N
XLogP3.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine (CID 80793521) is 2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine is CCNc1nc(N(C)C(C)C(C)C)c2ccccc2n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine?
The InChIKey is PBPNKXDQLMGEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-6-17-16-18-14-10-8-7-9-13(14)15(19-16)20(5)12(4)11(2)3/h7-12H,6H2,1-5H3,(H,17,18,19).
What are the key properties of 2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine?
2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine has a molecular weight of 272.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 80793521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).