5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one

C11H21N5O — CID 136817754

IUPAC5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one
SMILESCCC(CC)C(N)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H21N5O/c1-3-7(4-2)8(12)5-14-10-9(13)11(17)16-6-15-10/h6-8H,3-5,12-13H2,1-2H3,(H2,14,15,16,17)
InChIKeyIDLVINMUAXOUNO-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.53
Rot. Bonds6

About 5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136817754) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one
PubChem CID136817754
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one
SMILESCCC(CC)C(N)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H21N5O/c1-3-7(4-2)8(12)5-14-10-9(13)11(17)16-6-15-10/h6-8H,3-5,12-13H2,1-2H3,(H2,14,15,16,17)
InChIKeyIDLVINMUAXOUNO-UHFFFAOYSA-N
XLogP0.53
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one
CID 135524426
2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one
CID 135584213
2,5-diamino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136418258
4-amino-5-(pentylamino)-1H-pyrimidin-6-one
CID 136423385
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 137148918
2,5-diamino-4-[[(1S)-1-aminopentyl]amino]-1H-pyrimidin-6-one
CID 140365223
2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 135412685
2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one
CID 135449031
1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea
CID 135453909
5-amino-4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 135568285

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one (CID 136817754) is 5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one is CCC(CC)C(N)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is IDLVINMUAXOUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-7(4-2)8(12)5-14-10-9(13)11(17)16-6-15-10/h6-8H,3-5,12-13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 0.53, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136817754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).