2-amino-4-(4-methylanilino)-5-nitroso-1H-pyrimidin-6-one

C11H11N5O2 — CID 135408648

IUPAC2-amino-4-(4-methylanilino)-5-nitroso-1H-pyrimidin-6-one
SMILESCc1ccc(Nc2nc(N)[nH]c(=O)c2N=O)cc1
InChIInChI=1S/C11H11N5O2/c1-6-2-4-7(5-3-6)13-9-8(16-18)10(17)15-11(12)14-9/h2-5H,1H3,(H4,12,13,14,15,17)
InChIKeyWYINDNYBKUAHRK-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.80
Rot. Bonds3

About 2-amino-4-(4-methylanilino)-5-nitroso-1H-pyrimidin-6-one

2-amino-4-(4-methylanilino)-5-nitroso-1H-pyrimidin-6-one (PubChem CID 135408648) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-amino-4-(4-methylanilino)-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(4-methylanilino)-5-nitroso-1H-pyrimidin-6-one
PubChem CID135408648
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name2-amino-4-(4-methylanilino)-5-nitroso-1H-pyrimidin-6-one
SMILESCc1ccc(Nc2nc(N)[nH]c(=O)c2N=O)cc1
InChIInChI=1S/C11H11N5O2/c1-6-2-4-7(5-3-6)13-9-8(16-18)10(17)15-11(12)14-9/h2-5H,1H3,(H4,12,13,14,15,17)
InChIKeyWYINDNYBKUAHRK-UHFFFAOYSA-N
XLogP1.80
TPSA113.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methylanilino)-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(4-methylanilino)-5-nitroso-1H-pyrimidin-6-one (CID 135408648) is 2-amino-4-(4-methylanilino)-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(4-methylanilino)-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(4-methylanilino)-5-nitroso-1H-pyrimidin-6-one is Cc1ccc(Nc2nc(N)[nH]c(=O)c2N=O)cc1.
What is the InChIKey of 2-amino-4-(4-methylanilino)-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is WYINDNYBKUAHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-6-2-4-7(5-3-6)13-9-8(16-18)10(17)15-11(12)14-9/h2-5H,1H3,(H4,12,13,14,15,17).
What are the key properties of 2-amino-4-(4-methylanilino)-5-nitroso-1H-pyrimidin-6-one?
2-amino-4-(4-methylanilino)-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 245.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methylanilino)-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 135408648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).