4-(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)butan-1-ol;2-aminoethanol;5H-cyclopenta[d]pyrimidin-4-amine

C20H29N7O2 — CID 158147490

IUPAC4-(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)butan-1-ol;2-aminoethanol;5H-cyclopenta[d]pyrimidin-4-amine
SMILESNCCO.Nc1ncnc2c1CC=C2.Nc1ncnc2c1CC=C2CCCCO
InChIInChI=1S/C11H15N3O.C7H7N3.C2H7NO/c12-11-9-5-4-8(3-1-2-6-15)10(9)13-7-14-11;8-7-5-2-1-3-6(5)9-4-10-7;3-1-2-4/h4,7,15H,1-3,5-6H2,(H2,12,13,14);1,3-4H,2H2,(H2,8,9,10);4H,1-3H2
InChIKeyFURRNSDPCIOACZ-UHFFFAOYSA-N
MW399.50 g/mol
LogP0.73
Rot. Bonds5

About 4-(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)butan-1-ol;2-aminoethanol;5H-cyclopenta[d]pyrimidin-4-amine

4-(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)butan-1-ol;2-aminoethanol;5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 158147490) has the molecular formula C20H29N7O2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)butan-1-ol;2-aminoethanol;5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name4-(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)butan-1-ol;2-aminoethanol;5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID158147490
Molecular FormulaC20H29N7O2
Molecular Weight399.50 g/mol
Exact Mass399.24
IUPAC Name4-(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)butan-1-ol;2-aminoethanol;5H-cyclopenta[d]pyrimidin-4-amine
SMILESNCCO.Nc1ncnc2c1CC=C2.Nc1ncnc2c1CC=C2CCCCO
InChIInChI=1S/C11H15N3O.C7H7N3.C2H7NO/c12-11-9-5-4-8(3-1-2-6-15)10(9)13-7-14-11;8-7-5-2-1-3-6(5)9-4-10-7;3-1-2-4/h4,7,15H,1-3,5-6H2,(H2,12,13,14);1,3-4H,2H2,(H2,8,9,10);4H,1-3H2
InChIKeyFURRNSDPCIOACZ-UHFFFAOYSA-N
XLogP0.73
TPSA170.08 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 50.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)butan-1-ol;2-aminoethanol;5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 4-(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)butan-1-ol;2-aminoethanol;5H-cyclopenta[d]pyrimidin-4-amine (CID 158147490) is 4-(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)butan-1-ol;2-aminoethanol;5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 4-(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)butan-1-ol;2-aminoethanol;5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 4-(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)butan-1-ol;2-aminoethanol;5H-cyclopenta[d]pyrimidin-4-amine is NCCO.Nc1ncnc2c1CC=C2.Nc1ncnc2c1CC=C2CCCCO.
What is the InChIKey of 4-(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)butan-1-ol;2-aminoethanol;5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is FURRNSDPCIOACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.C7H7N3.C2H7NO/c12-11-9-5-4-8(3-1-2-6-15)10(9)13-7-14-11;8-7-5-2-1-3-6(5)9-4-10-7;3-1-2-4/h4,7,15H,1-3,5-6H2,(H2,12,13,14);1,3-4H,2H2,(H2,8,9,10);4H,1-3H2.
What are the key properties of 4-(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)butan-1-ol;2-aminoethanol;5H-cyclopenta[d]pyrimidin-4-amine?
4-(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)butan-1-ol;2-aminoethanol;5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 399.50 g/mol, XLogP of 0.73, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)butan-1-ol;2-aminoethanol;5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 158147490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).