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

C9H16N4O3 — CID 136730525

IUPAC5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCCCOCCO)nc[nH]c1=O
InChIInChI=1S/C9H16N4O3/c10-7-8(12-6-13-9(7)15)11-2-1-4-16-5-3-14/h6,14H,1-5,10H2,(H2,11,12,13,15)
InChIKeySGYJMJVDJDFEKO-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.84
Rot. Bonds7

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

5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136730525) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136730525
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCCCOCCO)nc[nH]c1=O
InChIInChI=1S/C9H16N4O3/c10-7-8(12-6-13-9(7)15)11-2-1-4-16-5-3-14/h6,14H,1-5,10H2,(H2,11,12,13,15)
InChIKeySGYJMJVDJDFEKO-UHFFFAOYSA-N
XLogP-0.84
TPSA113.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[[(1R)-1-(2-hydroxyethoxy)propyl]amino]-5-(methylamino)-1H-pyrimidin-6-one
CID 136471665
2-amino-4-(2-hydroxyethoxymethylamino)-5-(methylideneamino)-1H-pyrimidin-6-one
CID 143542735
5-amino-4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 135568311
4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730527
4-[3-(2-hydroxyethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730528
5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730542
5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764966
5-amino-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764975
5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
CID 136805766
5-amino-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one
CID 136973795
5-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136973822
5-amino-4-[2-(2-methoxyethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975117

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one (CID 136730525) is 5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one is Nc1c(NCCCOCCO)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is SGYJMJVDJDFEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c10-7-8(12-6-13-9(7)15)11-2-1-4-16-5-3-14/h6,14H,1-5,10H2,(H2,11,12,13,15).
What are the key properties of 5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one?
5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 228.25 g/mol, XLogP of -0.84, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136730525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).