N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide

C20H25N7O2 — CID 122324679

IUPACN-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCCNc1cc(C)nc(NCCNC(=O)CCn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C20H25N7O2/c1-3-21-17-12-14(2)25-20(26-17)23-10-9-22-18(28)8-11-27-13-24-16-7-5-4-6-15(16)19(27)29/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,28)(H2,21,23,25,26)
InChIKeyXAMXMEKLYQJXGD-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.55
Rot. Bonds9

About N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 122324679) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID122324679
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC NameN-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCCNc1cc(C)nc(NCCNC(=O)CCn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C20H25N7O2/c1-3-21-17-12-14(2)25-20(26-17)23-10-9-22-18(28)8-11-27-13-24-16-7-5-4-6-15(16)19(27)29/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,28)(H2,21,23,25,26)
InChIKeyXAMXMEKLYQJXGD-UHFFFAOYSA-N
XLogP1.55
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122294971
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122290203
N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide
CID 26122035
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122294459
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 91818526
N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55656687
N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 134041947

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 122324679) is N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide is CCNc1cc(C)nc(NCCNC(=O)CCn2cnc3ccccc3c2=O)n1.
What is the InChIKey of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is XAMXMEKLYQJXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-3-21-17-12-14(2)25-20(26-17)23-10-9-22-18(28)8-11-27-13-24-16-7-5-4-6-15(16)19(27)29/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,28)(H2,21,23,25,26).
What are the key properties of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 395.47 g/mol, XLogP of 1.55, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 122324679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).