4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine

C16H24N4 — CID 80753533

IUPAC4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine
SMILESCCCNc1nc(NC(C)C(C)C)c2ccccc2n1
InChIInChI=1S/C16H24N4/c1-5-10-17-16-19-14-9-7-6-8-13(14)15(20-16)18-12(4)11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H2,17,18,19,20)
InChIKeyXMIMEMRNIAVLLU-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.91
Rot. Bonds6

About 4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine

4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine (PubChem CID 80753533) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine
PubChem CID80753533
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine
SMILESCCCNc1nc(NC(C)C(C)C)c2ccccc2n1
InChIInChI=1S/C16H24N4/c1-5-10-17-16-19-14-9-7-6-8-13(14)15(20-16)18-12(4)11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H2,17,18,19,20)
InChIKeyXMIMEMRNIAVLLU-UHFFFAOYSA-N
XLogP3.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine with MolForge

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Related Compounds

(2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol
CID 80835823
2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine
CID 80916847
3-methoxy-2-[[2-(propylamino)quinazolin-4-yl]amino]propan-1-ol
CID 106198698
2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine
CID 80770804
2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine
CID 80778175
4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine
CID 107765966
6-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323240
2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide
CID 80901097
N-butan-2-yl-2-hydrazinylquinazolin-4-amine
CID 80932741
3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol
CID 106358160
N,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide
CID 80771008
4-N,4-N-dimethyl-2-N-propylquinazoline-2,4-diamine
CID 80765400

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine (CID 80753533) is 4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine is CCCNc1nc(NC(C)C(C)C)c2ccccc2n1.
What is the InChIKey of 4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine?
The InChIKey is XMIMEMRNIAVLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-10-17-16-19-14-9-7-6-8-13(14)15(20-16)18-12(4)11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine?
4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine has a molecular weight of 272.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine is sourced from PubChem (CID 80753533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).