4,5-diamino-3-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one

C8H16N4O2 — CID 139517179

IUPAC4,5-diamino-3-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one
SMILESCCCCN1C(N)=C(N)C(=O)NC1O
InChIInChI=1S/C8H16N4O2/c1-2-3-4-12-6(10)5(9)7(13)11-8(12)14/h8,14H,2-4,9-10H2,1H3,(H,11,13)
InChIKeyUEQKHQIBUSTXBX-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.42
Rot. Bonds3

About 4,5-diamino-3-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one

4,5-diamino-3-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one (PubChem CID 139517179) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4,5-diamino-3-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name4,5-diamino-3-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one
PubChem CID139517179
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name4,5-diamino-3-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one
SMILESCCCCN1C(N)=C(N)C(=O)NC1O
InChIInChI=1S/C8H16N4O2/c1-2-3-4-12-6(10)5(9)7(13)11-8(12)14/h8,14H,2-4,9-10H2,1H3,(H,11,13)
InChIKeyUEQKHQIBUSTXBX-UHFFFAOYSA-N
XLogP-1.42
TPSA104.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-3-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one?
The IUPAC name of 4,5-diamino-3-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one (CID 139517179) is 4,5-diamino-3-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 4,5-diamino-3-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 4,5-diamino-3-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one is CCCCN1C(N)=C(N)C(=O)NC1O.
What is the InChIKey of 4,5-diamino-3-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one?
The InChIKey is UEQKHQIBUSTXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-2-3-4-12-6(10)5(9)7(13)11-8(12)14/h8,14H,2-4,9-10H2,1H3,(H,11,13).
What are the key properties of 4,5-diamino-3-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one?
4,5-diamino-3-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one has a molecular weight of 200.24 g/mol, XLogP of -1.42, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-3-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 139517179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).