N-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide

C20H30N6O3 — CID 657449

IUPACN-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide
SMILESCn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2CC(=O)NC1CCCCC1
InChIInChI=1S/C20H30N6O3/c1-25-17-16(18(28)24-20(25)29)26(12-15(27)21-13-8-4-2-5-9-13)19(23-17)22-14-10-6-3-7-11-14/h13-14H,2-12H2,1H3,(H,21,27)(H,22,23)(H,24,28,29)
InChIKeyGUVWULCMIDSFNK-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.62
Rot. Bonds5

About N-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide

N-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide (PubChem CID 657449) has the molecular formula C20H30N6O3 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide
PubChem CID657449
Molecular FormulaC20H30N6O3
Molecular Weight402.50 g/mol
Exact Mass402.24
IUPAC NameN-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide
SMILESCn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2CC(=O)NC1CCCCC1
InChIInChI=1S/C20H30N6O3/c1-25-17-16(18(28)24-20(25)29)26(12-15(27)21-13-8-4-2-5-9-13)19(23-17)22-14-10-6-3-7-11-14/h13-14H,2-12H2,1H3,(H,21,27)(H,22,23)(H,24,28,29)
InChIKeyGUVWULCMIDSFNK-UHFFFAOYSA-N
XLogP1.62
TPSA113.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide (CID 657449) is N-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide is Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide?
The InChIKey is GUVWULCMIDSFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O3/c1-25-17-16(18(28)24-20(25)29)26(12-15(27)21-13-8-4-2-5-9-13)19(23-17)22-14-10-6-3-7-11-14/h13-14H,2-12H2,1H3,(H,21,27)(H,22,23)(H,24,28,29).
What are the key properties of N-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide?
N-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide has a molecular weight of 402.50 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide is sourced from PubChem (CID 657449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).