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

C10H17N3O3 — CID 106669382

IUPAC5-amino-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
SMILESCOC(C)(C)CCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N3O3/c1-10(2,15-3)4-5-16-9-7(11)8(14)12-6-13-9/h6H,4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyXJCIHUGPNFCNNG-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.55
Rot. Bonds5

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

5-amino-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one (PubChem CID 106669382) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-amino-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
PubChem CID106669382
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-amino-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
SMILESCOC(C)(C)CCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N3O3/c1-10(2,15-3)4-5-16-9-7(11)8(14)12-6-13-9/h6H,4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyXJCIHUGPNFCNNG-UHFFFAOYSA-N
XLogP0.55
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-6-ethoxypyrimidin-4-ol
CID 19152432
5-Amino-6-(propan-2-yloxy)pyrimidin-4-ol
CID 19152493
5-Amino-6-propoxypyrimidin-4-ol
CID 80141728
5-amino-4-(2-butoxyethoxy)-1H-pyrimidin-6-one
CID 103240430
5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
CID 103240448
5-amino-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240470
5-amino-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
CID 103240479
5-amino-4-hexoxy-1H-pyrimidin-6-one
CID 103240490
5-amino-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240605
5-amino-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 103240671
5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
CID 103240699
5-amino-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one
CID 103240723

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one (CID 106669382) is 5-amino-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one is COC(C)(C)CCOc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one?
The InChIKey is XJCIHUGPNFCNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-10(2,15-3)4-5-16-9-7(11)8(14)12-6-13-9/h6H,4-5,11H2,1-3H3,(H,12,13,14).
What are the key properties of 5-amino-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one?
5-amino-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 106669382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).