5-(1-adamantyl)-2-amino-4-hydroxy-1H-pyrimidin-6-one

C14H19N3O2 — CID 125492122

IUPAC5-(1-adamantyl)-2-amino-4-hydroxy-1H-pyrimidin-6-one
SMILESNc1nc(O)c(C23CC4CC(CC(C4)C2)C3)c(=O)[nH]1
InChIInChI=1S/C14H19N3O2/c15-13-16-11(18)10(12(19)17-13)14-4-7-1-8(5-14)3-9(2-7)6-14/h7-9H,1-6H2,(H4,15,16,17,18,19)
InChIKeyCALHGMVSPFRPKK-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.53
Rot. Bonds1

About 5-(1-adamantyl)-2-amino-4-hydroxy-1H-pyrimidin-6-one

5-(1-adamantyl)-2-amino-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 125492122) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(1-adamantyl)-2-amino-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(1-adamantyl)-2-amino-4-hydroxy-1H-pyrimidin-6-one
PubChem CID125492122
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-(1-adamantyl)-2-amino-4-hydroxy-1H-pyrimidin-6-one
SMILESNc1nc(O)c(C23CC4CC(CC(C4)C2)C3)c(=O)[nH]1
InChIInChI=1S/C14H19N3O2/c15-13-16-11(18)10(12(19)17-13)14-4-7-1-8(5-14)3-9(2-7)6-14/h7-9H,1-6H2,(H4,15,16,17,18,19)
InChIKeyCALHGMVSPFRPKK-UHFFFAOYSA-N
XLogP1.53
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyl)-2-amino-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(1-adamantyl)-2-amino-4-hydroxy-1H-pyrimidin-6-one (CID 125492122) is 5-(1-adamantyl)-2-amino-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(1-adamantyl)-2-amino-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(1-adamantyl)-2-amino-4-hydroxy-1H-pyrimidin-6-one is Nc1nc(O)c(C23CC4CC(CC(C4)C2)C3)c(=O)[nH]1.
What is the InChIKey of 5-(1-adamantyl)-2-amino-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is CALHGMVSPFRPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-13-16-11(18)10(12(19)17-13)14-4-7-1-8(5-14)3-9(2-7)6-14/h7-9H,1-6H2,(H4,15,16,17,18,19).
What are the key properties of 5-(1-adamantyl)-2-amino-4-hydroxy-1H-pyrimidin-6-one?
5-(1-adamantyl)-2-amino-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 261.32 g/mol, XLogP of 1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-2-amino-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 125492122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).