N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide

C18H20N6O2 — CID 122322312

IUPACN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1cc(N(C)C)nc(CNC(=O)Cn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C18H20N6O2/c1-12-8-16(23(2)3)22-15(21-12)9-19-17(25)10-24-11-20-14-7-5-4-6-13(14)18(24)26/h4-8,11H,9-10H2,1-3H3,(H,19,25)
InChIKeyKNVCWFAOCDVWML-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.88
Rot. Bonds5

About N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 122322312) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID122322312
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1cc(N(C)C)nc(CNC(=O)Cn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C18H20N6O2/c1-12-8-16(23(2)3)22-15(21-12)9-19-17(25)10-24-11-20-14-7-5-4-6-13(14)18(24)26/h4-8,11H,9-10H2,1-3H3,(H,19,25)
InChIKeyKNVCWFAOCDVWML-UHFFFAOYSA-N
XLogP0.88
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121137899
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7969443
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122253592
N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 32957981
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121059111
2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 5048859
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504
3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
CID 27605752
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 122322312) is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide is Cc1cc(N(C)C)nc(CNC(=O)Cn2cnc3ccccc3c2=O)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is KNVCWFAOCDVWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-12-8-16(23(2)3)22-15(21-12)9-19-17(25)10-24-11-20-14-7-5-4-6-13(14)18(24)26/h4-8,11H,9-10H2,1-3H3,(H,19,25).
What are the key properties of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 352.40 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 122322312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).