2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide

C22H19N5O3 — CID 26889875

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)n(C)c1=O
InChIInChI=1S/C22H19N5O3/c1-25-20-19(21(29)26(2)22(25)30)27(12-23-20)11-18(28)24-15-7-8-17-14(10-15)9-13-5-3-4-6-16(13)17/h3-8,10,12H,9,11H2,1-2H3,(H,24,28)
InChIKeyMVPINOMTHYBHLZ-UHFFFAOYSA-N
MW401.43 g/mol
LogP1.64
Rot. Bonds3

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide (PubChem CID 26889875) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide
PubChem CID26889875
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)n(C)c1=O
InChIInChI=1S/C22H19N5O3/c1-25-20-19(21(29)26(2)22(25)30)27(12-23-20)11-18(28)24-15-7-8-17-14(10-15)9-13-5-3-4-6-16(13)17/h3-8,10,12H,9,11H2,1-2H3,(H,24,28)
InChIKeyMVPINOMTHYBHLZ-UHFFFAOYSA-N
XLogP1.64
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3,4-dimethylphenyl)acetamide
CID 775363
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 1150897
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3,5-dimethylphenyl)acetamide
CID 718049
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium
CID 88570004
[3-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]-methyl-oxoazanium
CID 58312063
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 4678780
methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
CID 1116268
N-(4-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 743810
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethynylphenyl)acetamide
CID 164524269
4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 7856329
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(Z)-1-sulfanylprop-1-enyl]phenyl]acetamide
CID 146549650
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]acetamide
CID 71805057

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide (CID 26889875) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide is Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide?
The InChIKey is MVPINOMTHYBHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-25-20-19(21(29)26(2)22(25)30)27(12-23-20)11-18(28)24-15-7-8-17-14(10-15)9-13-5-3-4-6-16(13)17/h3-8,10,12H,9,11H2,1-2H3,(H,24,28).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide has a molecular weight of 401.43 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide is sourced from PubChem (CID 26889875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).