5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide

C15H21N5O — CID 106241710

IUPAC5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide
SMILESCCNc1nc(NCCCCC(N)=O)c2ccccc2n1
InChIInChI=1S/C15H21N5O/c1-2-17-15-19-12-8-4-3-7-11(12)14(20-15)18-10-6-5-9-13(16)21/h3-4,7-8H,2,5-6,9-10H2,1H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyWGBSEOMKBGEUKD-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.13
Rot. Bonds8

About 5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide

5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide (PubChem CID 106241710) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide.

Molecular Properties

Compound Name5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide
PubChem CID106241710
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide
SMILESCCNc1nc(NCCCCC(N)=O)c2ccccc2n1
InChIInChI=1S/C15H21N5O/c1-2-17-15-19-12-8-4-3-7-11(12)14(20-15)18-10-6-5-9-13(16)21/h3-4,7-8H,2,5-6,9-10H2,1H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyWGBSEOMKBGEUKD-UHFFFAOYSA-N
XLogP2.13
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
CID 80798366
2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831170
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
4-[(2-aminoquinazolin-4-yl)amino]butanamide
CID 80790515
methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
CID 80777540
4-N-(2-ethoxyethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80793590
4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol
CID 106847076
5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide
CID 114162870
5-[(3-aminoquinoxalin-2-yl)amino]pentanamide
CID 106241523
4-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103325302
4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine
CID 80769963
2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide
CID 80803173

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide?
The IUPAC name of 5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide (CID 106241710) is 5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide.
What is the SMILES notation for 5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide?
The canonical SMILES for 5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide is CCNc1nc(NCCCCC(N)=O)c2ccccc2n1.
What is the InChIKey of 5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide?
The InChIKey is WGBSEOMKBGEUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-17-15-19-12-8-4-3-7-11(12)14(20-15)18-10-6-5-9-13(16)21/h3-4,7-8H,2,5-6,9-10H2,1H3,(H2,16,21)(H2,17,18,19,20).
What are the key properties of 5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide?
5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide has a molecular weight of 287.37 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide is sourced from PubChem (CID 106241710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).