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

C15H21N3O — CID 135771429

IUPAC5-(1-adamantyl)-2-amino-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H21N3O/c1-8-12(13(19)18-14(16)17-8)15-5-9-2-10(6-15)4-11(3-9)7-15/h9-11H,2-7H2,1H3,(H3,16,17,18,19)
InChIKeyNXJIGRDYWLLNBX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.13
Rot. Bonds1

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

5-(1-adamantyl)-2-amino-4-methyl-1H-pyrimidin-6-one (PubChem CID 135771429) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-(1-adamantyl)-2-amino-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(1-adamantyl)-2-amino-4-methyl-1H-pyrimidin-6-one
PubChem CID135771429
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-(1-adamantyl)-2-amino-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H21N3O/c1-8-12(13(19)18-14(16)17-8)15-5-9-2-10(6-15)4-11(3-9)7-15/h9-11H,2-7H2,1H3,(H3,16,17,18,19)
InChIKeyNXJIGRDYWLLNBX-UHFFFAOYSA-N
XLogP2.13
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyl)-2-amino-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(1-adamantyl)-2-amino-4-methyl-1H-pyrimidin-6-one (CID 135771429) is 5-(1-adamantyl)-2-amino-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(1-adamantyl)-2-amino-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(1-adamantyl)-2-amino-4-methyl-1H-pyrimidin-6-one is Cc1nc(N)[nH]c(=O)c1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 5-(1-adamantyl)-2-amino-4-methyl-1H-pyrimidin-6-one?
The InChIKey is NXJIGRDYWLLNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-8-12(13(19)18-14(16)17-8)15-5-9-2-10(6-15)4-11(3-9)7-15/h9-11H,2-7H2,1H3,(H3,16,17,18,19).
What are the key properties of 5-(1-adamantyl)-2-amino-4-methyl-1H-pyrimidin-6-one?
5-(1-adamantyl)-2-amino-4-methyl-1H-pyrimidin-6-one has a molecular weight of 259.35 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-2-amino-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135771429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).