5-amino-4-(2-butoxyethylamino)-1H-pyrimidin-6-one

C10H18N4O2 — CID 136974561

IUPAC5-amino-4-(2-butoxyethylamino)-1H-pyrimidin-6-one
SMILESCCCCOCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-2-3-5-16-6-4-12-9-8(11)10(15)14-7-13-9/h7H,2-6,11H2,1H3,(H2,12,13,14,15)
InChIKeyUVLHCUUSSXUZSK-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.58
Rot. Bonds7

About 5-amino-4-(2-butoxyethylamino)-1H-pyrimidin-6-one

5-amino-4-(2-butoxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136974561) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-amino-4-(2-butoxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-butoxyethylamino)-1H-pyrimidin-6-one
PubChem CID136974561
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-amino-4-(2-butoxyethylamino)-1H-pyrimidin-6-one
SMILESCCCCOCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-2-3-5-16-6-4-12-9-8(11)10(15)14-7-13-9/h7H,2-6,11H2,1H3,(H2,12,13,14,15)
InChIKeyUVLHCUUSSXUZSK-UHFFFAOYSA-N
XLogP0.58
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.58
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

(+-)-2-Amino-5,6,7,8-tetrahydro-6-n-butoxymethyl-4(3H)-pteridinone
CID 135833480
5-amino-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896830
5-amino-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 137016443
5-amino-2-(2-butoxyethylamino)-1H-pyrimidin-6-one
CID 20570041
5-amino-2-(2-ethoxyethylamino)-1H-pyrimidin-6-one
CID 20570042
5-amino-2-(2-propoxyethylamino)-1H-pyrimidin-6-one
CID 20570051
2-Amino-6-butoxy-3-methyl-5,6,7,8-tetrahydropteridin-4-one
CID 70432118
2-Amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium
CID 135991965
5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241376
5-amino-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241411
5-amino-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586303
5-amino-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586332

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-butoxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-butoxyethylamino)-1H-pyrimidin-6-one (CID 136974561) is 5-amino-4-(2-butoxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-butoxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-butoxyethylamino)-1H-pyrimidin-6-one is CCCCOCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2-butoxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is UVLHCUUSSXUZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-2-3-5-16-6-4-12-9-8(11)10(15)14-7-13-9/h7H,2-6,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-(2-butoxyethylamino)-1H-pyrimidin-6-one?
5-amino-4-(2-butoxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-butoxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136974561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).