2-amino-4-anilino-5-nitroso-1H-pyrimidin-6-one

C10H9N5O2 — CID 135987604

IUPAC2-amino-4-anilino-5-nitroso-1H-pyrimidin-6-one
SMILESNc1nc(Nc2ccccc2)c(N=O)c(=O)[nH]1
InChIInChI=1S/C10H9N5O2/c11-10-13-8(7(15-17)9(16)14-10)12-6-4-2-1-3-5-6/h1-5H,(H4,11,12,13,14,16)
InChIKeyCGGMARULVHKIKF-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.49
Rot. Bonds3

About 2-amino-4-anilino-5-nitroso-1H-pyrimidin-6-one

2-amino-4-anilino-5-nitroso-1H-pyrimidin-6-one (PubChem CID 135987604) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-amino-4-anilino-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-anilino-5-nitroso-1H-pyrimidin-6-one
PubChem CID135987604
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC Name2-amino-4-anilino-5-nitroso-1H-pyrimidin-6-one
SMILESNc1nc(Nc2ccccc2)c(N=O)c(=O)[nH]1
InChIInChI=1S/C10H9N5O2/c11-10-13-8(7(15-17)9(16)14-10)12-6-4-2-1-3-5-6/h1-5H,(H4,11,12,13,14,16)
InChIKeyCGGMARULVHKIKF-UHFFFAOYSA-N
XLogP1.49
TPSA113.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-anilino-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-anilino-5-nitroso-1H-pyrimidin-6-one (CID 135987604) is 2-amino-4-anilino-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-anilino-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-anilino-5-nitroso-1H-pyrimidin-6-one is Nc1nc(Nc2ccccc2)c(N=O)c(=O)[nH]1.
What is the InChIKey of 2-amino-4-anilino-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is CGGMARULVHKIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2/c11-10-13-8(7(15-17)9(16)14-10)12-6-4-2-1-3-5-6/h1-5H,(H4,11,12,13,14,16).
What are the key properties of 2-amino-4-anilino-5-nitroso-1H-pyrimidin-6-one?
2-amino-4-anilino-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 231.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-anilino-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 135987604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).