[6-amino-5-(5-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]-(4-morpholin-4-ylcyclohexyl)azanium

C23H30N7O2+ — CID 144716953

IUPAC[6-amino-5-(5-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]-(4-morpholin-4-ylcyclohexyl)azanium
SMILES[H]/N=C(\c1cc2cc(O)ccc2[nH]1)c1c(N)ncnc1[NH2+]C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C23H29N7O2/c24-21(19-12-14-11-17(31)5-6-18(14)29-19)20-22(25)26-13-27-23(20)28-15-1-3-16(4-2-15)30-7-9-32-10-8-30/h5-6,11-13,15-16,24,29,31H,1-4,7-10H2,(H3,25,26,27,28)/p+1/b24-21+
InChIKeyKEDMHCFNZCVTHO-DARPEHSRSA-O
MW436.54 g/mol
LogP1.50
Rot. Bonds5

About [6-amino-5-(5-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]-(4-morpholin-4-ylcyclohexyl)azanium

[6-amino-5-(5-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]-(4-morpholin-4-ylcyclohexyl)azanium (PubChem CID 144716953) has the molecular formula C23H30N7O2+ and a molecular weight of 436.54 g/mol. Its IUPAC name is [6-amino-5-(5-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]-(4-morpholin-4-ylcyclohexyl)azanium.

Molecular Properties

Compound Name[6-amino-5-(5-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]-(4-morpholin-4-ylcyclohexyl)azanium
PubChem CID144716953
Molecular FormulaC23H30N7O2+
Molecular Weight436.54 g/mol
Exact Mass436.25
IUPAC Name[6-amino-5-(5-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]-(4-morpholin-4-ylcyclohexyl)azanium
SMILES[H]/N=C(\c1cc2cc(O)ccc2[nH]1)c1c(N)ncnc1[NH2+]C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C23H29N7O2/c24-21(19-12-14-11-17(31)5-6-18(14)29-19)20-22(25)26-13-27-23(20)28-15-1-3-16(4-2-15)30-7-9-32-10-8-30/h5-6,11-13,15-16,24,29,31H,1-4,7-10H2,(H3,25,26,27,28)/p+1/b24-21+
InChIKeyKEDMHCFNZCVTHO-DARPEHSRSA-O
XLogP1.50
TPSA140.75 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 51.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-amino-5-(5-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]-(4-morpholin-4-ylcyclohexyl)azanium?
The IUPAC name of [6-amino-5-(5-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]-(4-morpholin-4-ylcyclohexyl)azanium (CID 144716953) is [6-amino-5-(5-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]-(4-morpholin-4-ylcyclohexyl)azanium.
What is the SMILES notation for [6-amino-5-(5-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]-(4-morpholin-4-ylcyclohexyl)azanium?
The canonical SMILES for [6-amino-5-(5-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]-(4-morpholin-4-ylcyclohexyl)azanium is [H]/N=C(\c1cc2cc(O)ccc2[nH]1)c1c(N)ncnc1[NH2+]C1CCC(N2CCOCC2)CC1.
What is the InChIKey of [6-amino-5-(5-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]-(4-morpholin-4-ylcyclohexyl)azanium?
The InChIKey is KEDMHCFNZCVTHO-DARPEHSRSA-O. The full InChI is InChI=1S/C23H29N7O2/c24-21(19-12-14-11-17(31)5-6-18(14)29-19)20-22(25)26-13-27-23(20)28-15-1-3-16(4-2-15)30-7-9-32-10-8-30/h5-6,11-13,15-16,24,29,31H,1-4,7-10H2,(H3,25,26,27,28)/p+1/b24-21+.
What are the key properties of [6-amino-5-(5-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]-(4-morpholin-4-ylcyclohexyl)azanium?
[6-amino-5-(5-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]-(4-morpholin-4-ylcyclohexyl)azanium has a molecular weight of 436.54 g/mol, XLogP of 1.50, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-5-(5-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]-(4-morpholin-4-ylcyclohexyl)azanium is sourced from PubChem (CID 144716953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).