2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one

C6H9N5O — CID 154521709

IUPAC2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one
SMILESC/C=N/c1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C6H9N5O/c1-2-9-3-4(7)10-6(8)11-5(3)12/h2H,1H3,(H5,7,8,10,11,12)/b9-2+
InChIKeyCBXKIJKGRUKKMS-XNWCZRBMSA-N
MW167.17 g/mol
LogP-0.34
Rot. Bonds1

About 2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one

2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one (PubChem CID 154521709) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one
PubChem CID154521709
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one
SMILESC/C=N/c1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C6H9N5O/c1-2-9-3-4(7)10-6(8)11-5(3)12/h2H,1H3,(H5,7,8,10,11,12)/b9-2+
InChIKeyCBXKIJKGRUKKMS-XNWCZRBMSA-N
XLogP-0.34
TPSA110.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one (CID 154521709) is 2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one is C/C=N/c1c(N)nc(N)[nH]c1=O.
What is the InChIKey of 2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one?
The InChIKey is CBXKIJKGRUKKMS-XNWCZRBMSA-N. The full InChI is InChI=1S/C6H9N5O/c1-2-9-3-4(7)10-6(8)11-5(3)12/h2H,1H3,(H5,7,8,10,11,12)/b9-2+.
What are the key properties of 2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one?
2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one has a molecular weight of 167.17 g/mol, XLogP of -0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 154521709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).