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

C6H11N5O — CID 135850743

IUPAC2,5-diamino-4-(dimethylamino)-1H-pyrimidin-6-one
SMILESCN(C)c1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C6H11N5O/c1-11(2)4-3(7)5(12)10-6(8)9-4/h7H2,1-2H3,(H3,8,9,10,12)
InChIKeyIKDSQOUPDDEQOJ-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.00
Rot. Bonds1

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

2,5-diamino-4-(dimethylamino)-1H-pyrimidin-6-one (PubChem CID 135850743) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2,5-diamino-4-(dimethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-(dimethylamino)-1H-pyrimidin-6-one
PubChem CID135850743
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2,5-diamino-4-(dimethylamino)-1H-pyrimidin-6-one
SMILESCN(C)c1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C6H11N5O/c1-11(2)4-3(7)5(12)10-6(8)9-4/h7H2,1-2H3,(H3,8,9,10,12)
InChIKeyIKDSQOUPDDEQOJ-UHFFFAOYSA-N
XLogP-1.00
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-(dimethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-(dimethylamino)-1H-pyrimidin-6-one (CID 135850743) is 2,5-diamino-4-(dimethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-(dimethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-(dimethylamino)-1H-pyrimidin-6-one is CN(C)c1nc(N)[nH]c(=O)c1N.
What is the InChIKey of 2,5-diamino-4-(dimethylamino)-1H-pyrimidin-6-one?
The InChIKey is IKDSQOUPDDEQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-11(2)4-3(7)5(12)10-6(8)9-4/h7H2,1-2H3,(H3,8,9,10,12).
What are the key properties of 2,5-diamino-4-(dimethylamino)-1H-pyrimidin-6-one?
2,5-diamino-4-(dimethylamino)-1H-pyrimidin-6-one has a molecular weight of 169.19 g/mol, XLogP of -1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-(dimethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135850743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).