N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide

C19H22N6O — CID 122293394

IUPACN-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide
SMILESCCNc1cc(NCCNC(=O)c2nccc3ccccc23)nc(C)n1
InChIInChI=1S/C19H22N6O/c1-3-20-16-12-17(25-13(2)24-16)21-10-11-23-19(26)18-15-7-5-4-6-14(15)8-9-22-18/h4-9,12H,3,10-11H2,1-2H3,(H,23,26)(H2,20,21,24,25)
InChIKeyRKSKQZNOKZAMPK-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.61
Rot. Bonds7

About N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide

N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide (PubChem CID 122293394) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide
PubChem CID122293394
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide
SMILESCCNc1cc(NCCNC(=O)c2nccc3ccccc23)nc(C)n1
InChIInChI=1S/C19H22N6O/c1-3-20-16-12-17(25-13(2)24-16)21-10-11-23-19(26)18-15-7-5-4-6-14(15)8-9-22-18/h4-9,12H,3,10-11H2,1-2H3,(H,23,26)(H2,20,21,24,25)
InChIKeyRKSKQZNOKZAMPK-UHFFFAOYSA-N
XLogP2.61
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-iodobenzamide
CID 121074596
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide
CID 122293459
[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone
CID 122346166
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 45497026
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 121074564
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 45497028
2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 121074568
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122293384
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 122293406
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,4-difluorobenzamide
CID 122293306
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-phenoxypropanamide
CID 121074582
N-(6-aminohexyl)isoquinoline-1-carboxamide
CID 107843824

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide?
The IUPAC name of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide (CID 122293394) is N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide is CCNc1cc(NCCNC(=O)c2nccc3ccccc23)nc(C)n1.
What is the InChIKey of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide?
The InChIKey is RKSKQZNOKZAMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-3-20-16-12-17(25-13(2)24-16)21-10-11-23-19(26)18-15-7-5-4-6-14(15)8-9-22-18/h4-9,12H,3,10-11H2,1-2H3,(H,23,26)(H2,20,21,24,25).
What are the key properties of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide?
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide is sourced from PubChem (CID 122293394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).