N-cyclohexyl-6-(cyclohexylcarbamoylamino)purine-9-carboxamide

C19H27N7O2 — CID 90672557

IUPACN-cyclohexyl-6-(cyclohexylcarbamoylamino)purine-9-carboxamide
SMILESO=C(Nc1ncnc2c1ncn2C(=O)NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C19H27N7O2/c27-18(23-13-7-3-1-4-8-13)25-16-15-17(21-11-20-16)26(12-22-15)19(28)24-14-9-5-2-6-10-14/h11-14H,1-10H2,(H,24,28)(H2,20,21,23,25,27)
InChIKeyNNXXQOZKFCJFPH-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.17
Rot. Bonds3

About N-cyclohexyl-6-(cyclohexylcarbamoylamino)purine-9-carboxamide

N-cyclohexyl-6-(cyclohexylcarbamoylamino)purine-9-carboxamide (PubChem CID 90672557) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-cyclohexyl-6-(cyclohexylcarbamoylamino)purine-9-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(cyclohexylcarbamoylamino)purine-9-carboxamide
PubChem CID90672557
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC NameN-cyclohexyl-6-(cyclohexylcarbamoylamino)purine-9-carboxamide
SMILESO=C(Nc1ncnc2c1ncn2C(=O)NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C19H27N7O2/c27-18(23-13-7-3-1-4-8-13)25-16-15-17(21-11-20-16)26(12-22-15)19(28)24-14-9-5-2-6-10-14/h11-14H,1-10H2,(H,24,28)(H2,20,21,23,25,27)
InChIKeyNNXXQOZKFCJFPH-UHFFFAOYSA-N
XLogP3.17
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(cyclohexylcarbamoylamino)purine-9-carboxamide?
The IUPAC name of N-cyclohexyl-6-(cyclohexylcarbamoylamino)purine-9-carboxamide (CID 90672557) is N-cyclohexyl-6-(cyclohexylcarbamoylamino)purine-9-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(cyclohexylcarbamoylamino)purine-9-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(cyclohexylcarbamoylamino)purine-9-carboxamide is O=C(Nc1ncnc2c1ncn2C(=O)NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-6-(cyclohexylcarbamoylamino)purine-9-carboxamide?
The InChIKey is NNXXQOZKFCJFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2/c27-18(23-13-7-3-1-4-8-13)25-16-15-17(21-11-20-16)26(12-22-15)19(28)24-14-9-5-2-6-10-14/h11-14H,1-10H2,(H,24,28)(H2,20,21,23,25,27).
What are the key properties of N-cyclohexyl-6-(cyclohexylcarbamoylamino)purine-9-carboxamide?
N-cyclohexyl-6-(cyclohexylcarbamoylamino)purine-9-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(cyclohexylcarbamoylamino)purine-9-carboxamide is sourced from PubChem (CID 90672557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).