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

C15H22N4 — CID 80776501

IUPAC2-N-ethyl-4-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
SMILESCCNc1nc(N(C)CC(C)C)c2ccccc2n1
InChIInChI=1S/C15H22N4/c1-5-16-15-17-13-9-7-6-8-12(13)14(18-15)19(4)10-11(2)3/h6-9,11H,5,10H2,1-4H3,(H,16,17,18)
InChIKeyITWQHUGWLJFHER-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.15
Rot. Bonds5

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

2-N-ethyl-4-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine (PubChem CID 80776501) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
PubChem CID80776501
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-N-ethyl-4-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
SMILESCCNc1nc(N(C)CC(C)C)c2ccccc2n1
InChIInChI=1S/C15H22N4/c1-5-16-15-17-13-9-7-6-8-12(13)14(18-15)19(4)10-11(2)3/h6-9,11H,5,10H2,1-4H3,(H,16,17,18)
InChIKeyITWQHUGWLJFHER-UHFFFAOYSA-N
XLogP3.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine
CID 80793521
2-N,4-N-diethyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 80776424
3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]butanenitrile
CID 80828170
2-N-ethyl-4-N,4-N-dipropylquinazoline-2,4-diamine
CID 80763784
1-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-2-ol
CID 80908293
3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide
CID 106918473
2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine
CID 80774533
4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 80786859
2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831170
4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine
CID 80754270
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-(2-methylpropyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine (CID 80776501) is 2-N-ethyl-4-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine is CCNc1nc(N(C)CC(C)C)c2ccccc2n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine?
The InChIKey is ITWQHUGWLJFHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-5-16-15-17-13-9-7-6-8-12(13)14(18-15)19(4)10-11(2)3/h6-9,11H,5,10H2,1-4H3,(H,16,17,18).
What are the key properties of 2-N-ethyl-4-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine?
2-N-ethyl-4-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.15, 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-(2-methylpropyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80776501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).