5-amino-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one

C9H16N4O2 — CID 136973795

IUPAC5-amino-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one
SMILESCCOCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-2-15-5-3-4-11-8-7(10)9(14)13-6-12-8/h6H,2-5,10H2,1H3,(H2,11,12,13,14)
InChIKeySHSKAERCYAXBTP-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.19
Rot. Bonds6

About 5-amino-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one

5-amino-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136973795) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-amino-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one
PubChem CID136973795
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-amino-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one
SMILESCCOCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-2-15-5-3-4-11-8-7(10)9(14)13-6-12-8/h6H,2-5,10H2,1H3,(H2,11,12,13,14)
InChIKeySHSKAERCYAXBTP-UHFFFAOYSA-N
XLogP0.19
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
5-amino-2-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 20570046
5-amino-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one
CID 20570053
5-amino-2-(3-ethoxypropylamino)-1H-pyrimidin-6-one
CID 70584840
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
CID 103241435
5-amino-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586395
5-amino-4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 135568285
5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one
CID 135568296
5-amino-4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 135568311
5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 135575674
5-amino-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 135575729

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one (CID 136973795) is 5-amino-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one is CCOCCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is SHSKAERCYAXBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-15-5-3-4-11-8-7(10)9(14)13-6-12-8/h6H,2-5,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-amino-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one?
5-amino-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).