2-amino-4-[3-(diethylamino)propylamino]-5-phenyldiazenyl-1H-pyrimidin-6-one

C17H25N7O — CID 135431290

IUPAC2-amino-4-[3-(diethylamino)propylamino]-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESCCN(CC)CCCNc1nc(N)[nH]c(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C17H25N7O/c1-3-24(4-2)12-8-11-19-15-14(16(25)21-17(18)20-15)23-22-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H4,18,19,20,21,25)/b23-22+
InChIKeyCMIYZVMRCIPZED-GHVJWSGMSA-N
MW343.44 g/mol
LogP2.91
Rot. Bonds9

About 2-amino-4-[3-(diethylamino)propylamino]-5-phenyldiazenyl-1H-pyrimidin-6-one

2-amino-4-[3-(diethylamino)propylamino]-5-phenyldiazenyl-1H-pyrimidin-6-one (PubChem CID 135431290) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 2-amino-4-[3-(diethylamino)propylamino]-5-phenyldiazenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[3-(diethylamino)propylamino]-5-phenyldiazenyl-1H-pyrimidin-6-one
PubChem CID135431290
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name2-amino-4-[3-(diethylamino)propylamino]-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESCCN(CC)CCCNc1nc(N)[nH]c(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C17H25N7O/c1-3-24(4-2)12-8-11-19-15-14(16(25)21-17(18)20-15)23-22-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H4,18,19,20,21,25)/b23-22+
InChIKeyCMIYZVMRCIPZED-GHVJWSGMSA-N
XLogP2.91
TPSA111.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(diethylamino)propylamino]-5-phenyldiazenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[3-(diethylamino)propylamino]-5-phenyldiazenyl-1H-pyrimidin-6-one (CID 135431290) is 2-amino-4-[3-(diethylamino)propylamino]-5-phenyldiazenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[3-(diethylamino)propylamino]-5-phenyldiazenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[3-(diethylamino)propylamino]-5-phenyldiazenyl-1H-pyrimidin-6-one is CCN(CC)CCCNc1nc(N)[nH]c(=O)c1/N=N/c1ccccc1.
What is the InChIKey of 2-amino-4-[3-(diethylamino)propylamino]-5-phenyldiazenyl-1H-pyrimidin-6-one?
The InChIKey is CMIYZVMRCIPZED-GHVJWSGMSA-N. The full InChI is InChI=1S/C17H25N7O/c1-3-24(4-2)12-8-11-19-15-14(16(25)21-17(18)20-15)23-22-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H4,18,19,20,21,25)/b23-22+.
What are the key properties of 2-amino-4-[3-(diethylamino)propylamino]-5-phenyldiazenyl-1H-pyrimidin-6-one?
2-amino-4-[3-(diethylamino)propylamino]-5-phenyldiazenyl-1H-pyrimidin-6-one has a molecular weight of 343.44 g/mol, XLogP of 2.91, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(diethylamino)propylamino]-5-phenyldiazenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135431290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).