2-amino-4,5-bis(methylamino)-1H-pyrimidin-6-one

C6H11N5O — CID 136603111

IUPAC2-amino-4,5-bis(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(N)[nH]c(=O)c1NC
InChIInChI=1S/C6H11N5O/c1-8-3-4(9-2)10-6(7)11-5(3)12/h8H,1-2H3,(H4,7,9,10,11,12)
InChIKeyUTCLFIOBSPHESV-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.56
Rot. Bonds2

About 2-amino-4,5-bis(methylamino)-1H-pyrimidin-6-one

2-amino-4,5-bis(methylamino)-1H-pyrimidin-6-one (PubChem CID 136603111) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-amino-4,5-bis(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4,5-bis(methylamino)-1H-pyrimidin-6-one
PubChem CID136603111
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2-amino-4,5-bis(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(N)[nH]c(=O)c1NC
InChIInChI=1S/C6H11N5O/c1-8-3-4(9-2)10-6(7)11-5(3)12/h8H,1-2H3,(H4,7,9,10,11,12)
InChIKeyUTCLFIOBSPHESV-UHFFFAOYSA-N
XLogP-0.56
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-bis(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4,5-bis(methylamino)-1H-pyrimidin-6-one (CID 136603111) is 2-amino-4,5-bis(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4,5-bis(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4,5-bis(methylamino)-1H-pyrimidin-6-one is CNc1nc(N)[nH]c(=O)c1NC.
What is the InChIKey of 2-amino-4,5-bis(methylamino)-1H-pyrimidin-6-one?
The InChIKey is UTCLFIOBSPHESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-8-3-4(9-2)10-6(7)11-5(3)12/h8H,1-2H3,(H4,7,9,10,11,12).
What are the key properties of 2-amino-4,5-bis(methylamino)-1H-pyrimidin-6-one?
2-amino-4,5-bis(methylamino)-1H-pyrimidin-6-one has a molecular weight of 169.19 g/mol, XLogP of -0.56, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-bis(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136603111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).