5-amino-2-[3-[[6-[(dimethylamino)methyl]-2-pyridinyl]oxy]propylamino]-1H-pyrimidin-6-one

C15H22N6O2 — CID 21292037

IUPAC5-amino-2-[3-[[6-[(dimethylamino)methyl]-2-pyridinyl]oxy]propylamino]-1H-pyrimidin-6-one
SMILESCN(C)Cc1cccc(OCCCNc2ncc(N)c(=O)[nH]2)n1
InChIInChI=1S/C15H22N6O2/c1-21(2)10-11-5-3-6-13(19-11)23-8-4-7-17-15-18-9-12(16)14(22)20-15/h3,5-6,9H,4,7-8,10,16H2,1-2H3,(H2,17,18,20,22)
InChIKeyLNTSEUKLRDTZHQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.69
Rot. Bonds8

About 5-amino-2-[3-[[6-[(dimethylamino)methyl]-2-pyridinyl]oxy]propylamino]-1H-pyrimidin-6-one

5-amino-2-[3-[[6-[(dimethylamino)methyl]-2-pyridinyl]oxy]propylamino]-1H-pyrimidin-6-one (PubChem CID 21292037) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-amino-2-[3-[[6-[(dimethylamino)methyl]-2-pyridinyl]oxy]propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-[3-[[6-[(dimethylamino)methyl]-2-pyridinyl]oxy]propylamino]-1H-pyrimidin-6-one
PubChem CID21292037
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name5-amino-2-[3-[[6-[(dimethylamino)methyl]-2-pyridinyl]oxy]propylamino]-1H-pyrimidin-6-one
SMILESCN(C)Cc1cccc(OCCCNc2ncc(N)c(=O)[nH]2)n1
InChIInChI=1S/C15H22N6O2/c1-21(2)10-11-5-3-6-13(19-11)23-8-4-7-17-15-18-9-12(16)14(22)20-15/h3,5-6,9H,4,7-8,10,16H2,1-2H3,(H2,17,18,20,22)
InChIKeyLNTSEUKLRDTZHQ-UHFFFAOYSA-N
XLogP0.69
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 5-amino-2-[3-[[6-[(dimethylamino)methyl]-2-pyridinyl]oxy]propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-[3-[[6-[(dimethylamino)methyl]-2-pyridinyl]oxy]propylamino]-1H-pyrimidin-6-one (CID 21292037) is 5-amino-2-[3-[[6-[(dimethylamino)methyl]-2-pyridinyl]oxy]propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-[3-[[6-[(dimethylamino)methyl]-2-pyridinyl]oxy]propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-[3-[[6-[(dimethylamino)methyl]-2-pyridinyl]oxy]propylamino]-1H-pyrimidin-6-one is CN(C)Cc1cccc(OCCCNc2ncc(N)c(=O)[nH]2)n1.
What is the InChIKey of 5-amino-2-[3-[[6-[(dimethylamino)methyl]-2-pyridinyl]oxy]propylamino]-1H-pyrimidin-6-one?
The InChIKey is LNTSEUKLRDTZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-21(2)10-11-5-3-6-13(19-11)23-8-4-7-17-15-18-9-12(16)14(22)20-15/h3,5-6,9H,4,7-8,10,16H2,1-2H3,(H2,17,18,20,22).
What are the key properties of 5-amino-2-[3-[[6-[(dimethylamino)methyl]-2-pyridinyl]oxy]propylamino]-1H-pyrimidin-6-one?
5-amino-2-[3-[[6-[(dimethylamino)methyl]-2-pyridinyl]oxy]propylamino]-1H-pyrimidin-6-one has a molecular weight of 318.38 g/mol, XLogP of 0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-[[6-[(dimethylamino)methyl]-2-pyridinyl]oxy]propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 21292037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).