2-amino-4-[[(2S)-2-hydroxypropyl]amino]-5-phenyldiazenyl-1H-pyrimidin-6-one

C13H16N6O2 — CID 136699163

IUPAC2-amino-4-[[(2S)-2-hydroxypropyl]amino]-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESC[C@H](O)CNc1nc(N)[nH]c(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C13H16N6O2/c1-8(20)7-15-11-10(12(21)17-13(14)16-11)19-18-9-5-3-2-4-6-9/h2-6,8,20H,7H2,1H3,(H4,14,15,16,17,21)/b19-18+/t8-/m0/s1
InChIKeyXUNSBHWOZRDXNX-KCLWURBQSA-N
MW288.31 g/mol
LogP1.56
Rot. Bonds5

About 2-amino-4-[[(2S)-2-hydroxypropyl]amino]-5-phenyldiazenyl-1H-pyrimidin-6-one

2-amino-4-[[(2S)-2-hydroxypropyl]amino]-5-phenyldiazenyl-1H-pyrimidin-6-one (PubChem CID 136699163) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-amino-4-[[(2S)-2-hydroxypropyl]amino]-5-phenyldiazenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[[(2S)-2-hydroxypropyl]amino]-5-phenyldiazenyl-1H-pyrimidin-6-one
PubChem CID136699163
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name2-amino-4-[[(2S)-2-hydroxypropyl]amino]-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESC[C@H](O)CNc1nc(N)[nH]c(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C13H16N6O2/c1-8(20)7-15-11-10(12(21)17-13(14)16-11)19-18-9-5-3-2-4-6-9/h2-6,8,20H,7H2,1H3,(H4,14,15,16,17,21)/b19-18+/t8-/m0/s1
InChIKeyXUNSBHWOZRDXNX-KCLWURBQSA-N
XLogP1.56
TPSA128.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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-[[(2S)-2-hydroxypropyl]amino]-5-phenyldiazenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[[(2S)-2-hydroxypropyl]amino]-5-phenyldiazenyl-1H-pyrimidin-6-one (CID 136699163) is 2-amino-4-[[(2S)-2-hydroxypropyl]amino]-5-phenyldiazenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[[(2S)-2-hydroxypropyl]amino]-5-phenyldiazenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[[(2S)-2-hydroxypropyl]amino]-5-phenyldiazenyl-1H-pyrimidin-6-one is C[C@H](O)CNc1nc(N)[nH]c(=O)c1/N=N/c1ccccc1.
What is the InChIKey of 2-amino-4-[[(2S)-2-hydroxypropyl]amino]-5-phenyldiazenyl-1H-pyrimidin-6-one?
The InChIKey is XUNSBHWOZRDXNX-KCLWURBQSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-8(20)7-15-11-10(12(21)17-13(14)16-11)19-18-9-5-3-2-4-6-9/h2-6,8,20H,7H2,1H3,(H4,14,15,16,17,21)/b19-18+/t8-/m0/s1.
What are the key properties of 2-amino-4-[[(2S)-2-hydroxypropyl]amino]-5-phenyldiazenyl-1H-pyrimidin-6-one?
2-amino-4-[[(2S)-2-hydroxypropyl]amino]-5-phenyldiazenyl-1H-pyrimidin-6-one has a molecular weight of 288.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[(2S)-2-hydroxypropyl]amino]-5-phenyldiazenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136699163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).