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

C8H13N5O2 — CID 135987602

IUPAC2-amino-4-(diethylamino)-5-nitroso-1H-pyrimidin-6-one
SMILESCCN(CC)c1nc(N)[nH]c(=O)c1N=O
InChIInChI=1S/C8H13N5O2/c1-3-13(4-2)6-5(12-15)7(14)11-8(9)10-6/h3-4H2,1-2H3,(H3,9,10,11,14)
InChIKeyMCBIZXXBGDUADN-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.60
Rot. Bonds4

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

2-amino-4-(diethylamino)-5-nitroso-1H-pyrimidin-6-one (PubChem CID 135987602) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-amino-4-(diethylamino)-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(diethylamino)-5-nitroso-1H-pyrimidin-6-one
PubChem CID135987602
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name2-amino-4-(diethylamino)-5-nitroso-1H-pyrimidin-6-one
SMILESCCN(CC)c1nc(N)[nH]c(=O)c1N=O
InChIInChI=1S/C8H13N5O2/c1-3-13(4-2)6-5(12-15)7(14)11-8(9)10-6/h3-4H2,1-2H3,(H3,9,10,11,14)
InChIKeyMCBIZXXBGDUADN-UHFFFAOYSA-N
XLogP0.60
TPSA104.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(diethylamino)-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(diethylamino)-5-nitroso-1H-pyrimidin-6-one (CID 135987602) is 2-amino-4-(diethylamino)-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(diethylamino)-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(diethylamino)-5-nitroso-1H-pyrimidin-6-one is CCN(CC)c1nc(N)[nH]c(=O)c1N=O.
What is the InChIKey of 2-amino-4-(diethylamino)-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is MCBIZXXBGDUADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-3-13(4-2)6-5(12-15)7(14)11-8(9)10-6/h3-4H2,1-2H3,(H3,9,10,11,14).
What are the key properties of 2-amino-4-(diethylamino)-5-nitroso-1H-pyrimidin-6-one?
2-amino-4-(diethylamino)-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 211.22 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(diethylamino)-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 135987602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).