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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Related Compounds

3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile
CID 80828170
2-N-ethyl-4-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80776501
2-N,4-N-diethyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 80776424
2-N-ethyl-4-N,4-N-dipropylquinazoline-2,4-diamine
CID 80763784
N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine
CID 80894230
4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 80786859
4-N-(1-cyclopropylethyl)-4-N-methyl-2-N-propylquinazoline-2,4-diamine
CID 80774231
2-N,4-N-dimethyl-4-N-pentan-3-ylquinazoline-2,4-diamine
CID 80792804
4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine
CID 80754270
2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol
CID 104557153
4-N,4-N-dimethyl-2-N-propylquinazoline-2,4-diamine
CID 80765400
1-[ethyl-[2-(ethylamino)quinazolin-4-yl]amino]-2-methylpropan-2-ol
CID 80835951

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).