4-[(1-cyclopentylcyclopentyl)amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide

C22H33N5O2 — CID 118523871

IUPAC4-[(1-cyclopentylcyclopentyl)amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC23CCC(O)(CC2)C3)nc1NC1(C2CCCC2)CCCC1
InChIInChI=1S/C22H33N5O2/c23-17(28)16-13-24-19(27-20-9-11-21(29,14-20)12-10-20)25-18(16)26-22(7-3-4-8-22)15-5-1-2-6-15/h13,15,29H,1-12,14H2,(H2,23,28)(H2,24,25,26,27)
InChIKeyOZNJLCUOJNPZAU-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.35
Rot. Bonds6

About 4-[(1-cyclopentylcyclopentyl)amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide

4-[(1-cyclopentylcyclopentyl)amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide (PubChem CID 118523871) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 4-[(1-cyclopentylcyclopentyl)amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(1-cyclopentylcyclopentyl)amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide
PubChem CID118523871
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name4-[(1-cyclopentylcyclopentyl)amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC23CCC(O)(CC2)C3)nc1NC1(C2CCCC2)CCCC1
InChIInChI=1S/C22H33N5O2/c23-17(28)16-13-24-19(27-20-9-11-21(29,14-20)12-10-20)25-18(16)26-22(7-3-4-8-22)15-5-1-2-6-15/h13,15,29H,1-12,14H2,(H2,23,28)(H2,24,25,26,27)
InChIKeyOZNJLCUOJNPZAU-UHFFFAOYSA-N
XLogP3.35
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopentylcyclopentyl)amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[(1-cyclopentylcyclopentyl)amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide (CID 118523871) is 4-[(1-cyclopentylcyclopentyl)amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(1-cyclopentylcyclopentyl)amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(1-cyclopentylcyclopentyl)amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide is NC(=O)c1cnc(NC23CCC(O)(CC2)C3)nc1NC1(C2CCCC2)CCCC1.
What is the InChIKey of 4-[(1-cyclopentylcyclopentyl)amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide?
The InChIKey is OZNJLCUOJNPZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c23-17(28)16-13-24-19(27-20-9-11-21(29,14-20)12-10-20)25-18(16)26-22(7-3-4-8-22)15-5-1-2-6-15/h13,15,29H,1-12,14H2,(H2,23,28)(H2,24,25,26,27).
What are the key properties of 4-[(1-cyclopentylcyclopentyl)amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide?
4-[(1-cyclopentylcyclopentyl)amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 3.35, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopentylcyclopentyl)amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 118523871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).