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

C6H11N5O — CID 137221313

IUPAC2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one
SMILESCCNc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C6H11N5O/c1-2-9-4-3(7)5(12)11-6(8)10-4/h2,7H2,1H3,(H4,8,9,10,11,12)
InChIKeyWYGJPMMLMZEPRS-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.63
Rot. Bonds2

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

2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one (PubChem CID 137221313) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one
PubChem CID137221313
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one
SMILESCCNc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C6H11N5O/c1-2-9-4-3(7)5(12)11-6(8)10-4/h2,7H2,1H3,(H4,8,9,10,11,12)
InChIKeyWYGJPMMLMZEPRS-UHFFFAOYSA-N
XLogP-0.63
TPSA109.82 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 ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-diamino-4-[(3,4-dichlorophenyl)methylamino]-1H-pyrimidin-6-one
CID 135474303
2,5-diamino-4-anilino-1H-pyrimidin-6-one
CID 135850742
2,5-diamino-4-methoxy-1H-pyrimidin-6-one
CID 118167344
2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one
CID 135406299
2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one
CID 136694596
2-amino-4-[(2-amino-2-methylpropyl)amino]-5-nitro-1H-pyrimidin-6-one;hydrochloride
CID 135689385
2-amino-4-[(1-amino-2-methylpropan-2-yl)amino]-5-nitro-1H-pyrimidin-6-one
CID 135689382
2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135438441
2-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-4,5-diamine
CID 99985838
2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one
CID 136657308
4-(ethylamino)-1,2,5-thiadiazol-3-one
CID 70294901
sulfurous acid;2,4,5-triamino-1H-pyrimidin-6-one
CID 159585944

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one (CID 137221313) is 2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one is CCNc1nc(N)[nH]c(=O)c1N.
What is the InChIKey of 2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one?
The InChIKey is WYGJPMMLMZEPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-2-9-4-3(7)5(12)11-6(8)10-4/h2,7H2,1H3,(H4,8,9,10,11,12).
What are the key properties of 2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one?
2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one has a molecular weight of 169.19 g/mol, XLogP of -0.63, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137221313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).