N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide

C23H26N8O2 — CID 122290203

IUPACN-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1cc(C)n(-c2cc(NCCNC(=O)CCn3cnc4ccccc4c3=O)nc(C)n2)n1
InChIInChI=1S/C23H26N8O2/c1-15-12-16(2)31(29-15)21-13-20(27-17(3)28-21)24-9-10-25-22(32)8-11-30-14-26-19-7-5-4-6-18(19)23(30)33/h4-7,12-14H,8-11H2,1-3H3,(H,25,32)(H,24,27,28)
InChIKeyVQLIQKMHCSCMDH-UHFFFAOYSA-N
MW446.52 g/mol
LogP1.92
Rot. Bonds8

About N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 122290203) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID122290203
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC NameN-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1cc(C)n(-c2cc(NCCNC(=O)CCn3cnc4ccccc4c3=O)nc(C)n2)n1
InChIInChI=1S/C23H26N8O2/c1-15-12-16(2)31(29-15)21-13-20(27-17(3)28-21)24-9-10-25-22(32)8-11-30-14-26-19-7-5-4-6-18(19)23(30)33/h4-7,12-14H,8-11H2,1-3H3,(H,25,32)(H,24,27,28)
InChIKeyVQLIQKMHCSCMDH-UHFFFAOYSA-N
XLogP1.92
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122324679
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]naphthalene-1-carboxamide
CID 121072353
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide
CID 122290113
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122297137
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 90491826
3-(3-chloro-4-fluorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]propanamide
CID 122290240
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
1-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(2-fluorophenyl)urea
CID 121072684
N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide
CID 26122035

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 122290203) is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide is Cc1cc(C)n(-c2cc(NCCNC(=O)CCn3cnc4ccccc4c3=O)nc(C)n2)n1.
What is the InChIKey of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is VQLIQKMHCSCMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-15-12-16(2)31(29-15)21-13-20(27-17(3)28-21)24-9-10-25-22(32)8-11-30-14-26-19-7-5-4-6-18(19)23(30)33/h4-7,12-14H,8-11H2,1-3H3,(H,25,32)(H,24,27,28).
What are the key properties of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 446.52 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 122290203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).