10-(6-amino-2-methoxypyrimidin-4-yl)oxydecan-1-ol

C15H27N3O3 — CID 11543921

IUPAC10-(6-amino-2-methoxypyrimidin-4-yl)oxydecan-1-ol
SMILESCOc1nc(N)cc(OCCCCCCCCCCO)n1
InChIInChI=1S/C15H27N3O3/c1-20-15-17-13(16)12-14(18-15)21-11-9-7-5-3-2-4-6-8-10-19/h12,19H,2-11H2,1H3,(H2,16,17,18)
InChIKeyZJSWSVHVTFULFB-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.56
Rot. Bonds12

About 10-(6-amino-2-methoxypyrimidin-4-yl)oxydecan-1-ol

10-(6-amino-2-methoxypyrimidin-4-yl)oxydecan-1-ol (PubChem CID 11543921) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 10-(6-amino-2-methoxypyrimidin-4-yl)oxydecan-1-ol.

Molecular Properties

Compound Name10-(6-amino-2-methoxypyrimidin-4-yl)oxydecan-1-ol
PubChem CID11543921
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name10-(6-amino-2-methoxypyrimidin-4-yl)oxydecan-1-ol
SMILESCOc1nc(N)cc(OCCCCCCCCCCO)n1
InChIInChI=1S/C15H27N3O3/c1-20-15-17-13(16)12-14(18-15)21-11-9-7-5-3-2-4-6-8-10-19/h12,19H,2-11H2,1H3,(H2,16,17,18)
InChIKeyZJSWSVHVTFULFB-UHFFFAOYSA-N
XLogP2.56
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(6-amino-2-methoxypyrimidin-4-yl)oxybutanenitrile
CID 11287240
3-(6-amino-2-methylpyrimidin-4-yl)oxypropan-1-ol
CID 80866181
6-(difluoromethoxy)-2-methoxypyrimidin-4-amine
CID 22909978
2,5-dimethoxypyrimidin-4-amine;2,6-dimethoxypyrimidin-4-amine
CID 159600283
6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine
CID 113401616
6-hexoxy-2-propylpyrimidin-4-amine
CID 80949907
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol
CID 102719752
5-(2-tert-butyl-6-chloropyrimidin-4-yl)oxypentan-1-ol
CID 114216648
6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol
CID 114053267
6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965218
5-(2-amino-5-methoxyphenoxy)pentan-1-ol
CID 102702306
3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80866003

Frequently Asked Questions

What is the IUPAC name of 10-(6-amino-2-methoxypyrimidin-4-yl)oxydecan-1-ol?
The IUPAC name of 10-(6-amino-2-methoxypyrimidin-4-yl)oxydecan-1-ol (CID 11543921) is 10-(6-amino-2-methoxypyrimidin-4-yl)oxydecan-1-ol.
What is the SMILES notation for 10-(6-amino-2-methoxypyrimidin-4-yl)oxydecan-1-ol?
The canonical SMILES for 10-(6-amino-2-methoxypyrimidin-4-yl)oxydecan-1-ol is COc1nc(N)cc(OCCCCCCCCCCO)n1.
What is the InChIKey of 10-(6-amino-2-methoxypyrimidin-4-yl)oxydecan-1-ol?
The InChIKey is ZJSWSVHVTFULFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-20-15-17-13(16)12-14(18-15)21-11-9-7-5-3-2-4-6-8-10-19/h12,19H,2-11H2,1H3,(H2,16,17,18).
What are the key properties of 10-(6-amino-2-methoxypyrimidin-4-yl)oxydecan-1-ol?
10-(6-amino-2-methoxypyrimidin-4-yl)oxydecan-1-ol has a molecular weight of 297.40 g/mol, XLogP of 2.56, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-amino-2-methoxypyrimidin-4-yl)oxydecan-1-ol is sourced from PubChem (CID 11543921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).