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

C6H9N5O2 — CID 135987603

IUPAC2-amino-4-(ethylamino)-5-nitroso-1H-pyrimidin-6-one
SMILESCCNc1nc(N)[nH]c(=O)c1N=O
InChIInChI=1S/C6H9N5O2/c1-2-8-4-3(11-13)5(12)10-6(7)9-4/h2H2,1H3,(H4,7,8,9,10,12)
InChIKeyOHNTVQBEQQDOED-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.18
Rot. Bonds3

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

2-amino-4-(ethylamino)-5-nitroso-1H-pyrimidin-6-one (PubChem CID 135987603) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-amino-4-(ethylamino)-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(ethylamino)-5-nitroso-1H-pyrimidin-6-one
PubChem CID135987603
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name2-amino-4-(ethylamino)-5-nitroso-1H-pyrimidin-6-one
SMILESCCNc1nc(N)[nH]c(=O)c1N=O
InChIInChI=1S/C6H9N5O2/c1-2-8-4-3(11-13)5(12)10-6(7)9-4/h2H2,1H3,(H4,7,8,9,10,12)
InChIKeyOHNTVQBEQQDOED-UHFFFAOYSA-N
XLogP0.18
TPSA113.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(ethylamino)-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(ethylamino)-5-nitroso-1H-pyrimidin-6-one (CID 135987603) is 2-amino-4-(ethylamino)-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(ethylamino)-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(ethylamino)-5-nitroso-1H-pyrimidin-6-one is CCNc1nc(N)[nH]c(=O)c1N=O.
What is the InChIKey of 2-amino-4-(ethylamino)-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is OHNTVQBEQQDOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-2-8-4-3(11-13)5(12)10-6(7)9-4/h2H2,1H3,(H4,7,8,9,10,12).
What are the key properties of 2-amino-4-(ethylamino)-5-nitroso-1H-pyrimidin-6-one?
2-amino-4-(ethylamino)-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 183.17 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(ethylamino)-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 135987603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).