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

C5H7N5O — CID 136600094

IUPAC2,4-diamino-5-(methylideneamino)-1H-pyrimidin-6-one
SMILESC=Nc1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C5H7N5O/c1-8-2-3(6)9-5(7)10-4(2)11/h1H2,(H5,6,7,9,10,11)
InChIKeyHJXZLTUSKSHHHD-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.73
Rot. Bonds1

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

2,4-diamino-5-(methylideneamino)-1H-pyrimidin-6-one (PubChem CID 136600094) has the molecular formula C5H7N5O and a molecular weight of 153.14 g/mol. Its IUPAC name is 2,4-diamino-5-(methylideneamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-(methylideneamino)-1H-pyrimidin-6-one
PubChem CID136600094
Molecular FormulaC5H7N5O
Molecular Weight153.14 g/mol
Exact Mass153.07
IUPAC Name2,4-diamino-5-(methylideneamino)-1H-pyrimidin-6-one
SMILESC=Nc1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C5H7N5O/c1-8-2-3(6)9-5(7)10-4(2)11/h1H2,(H5,6,7,9,10,11)
InChIKeyHJXZLTUSKSHHHD-UHFFFAOYSA-N
XLogP-0.73
TPSA110.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.73
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-(methylideneamino)-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-(methylideneamino)-1H-pyrimidin-6-one (CID 136600094) is 2,4-diamino-5-(methylideneamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-(methylideneamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-(methylideneamino)-1H-pyrimidin-6-one is C=Nc1c(N)nc(N)[nH]c1=O.
What is the InChIKey of 2,4-diamino-5-(methylideneamino)-1H-pyrimidin-6-one?
The InChIKey is HJXZLTUSKSHHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O/c1-8-2-3(6)9-5(7)10-4(2)11/h1H2,(H5,6,7,9,10,11).
What are the key properties of 2,4-diamino-5-(methylideneamino)-1H-pyrimidin-6-one?
2,4-diamino-5-(methylideneamino)-1H-pyrimidin-6-one has a molecular weight of 153.14 g/mol, XLogP of -0.73, 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-(methylideneamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136600094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).