1-pyrimidin-5-yltridecan-1-ol

C17H30N2O — CID 102924013

IUPAC1-pyrimidin-5-yltridecan-1-ol
SMILESCCCCCCCCCCCCC(O)c1cncnc1
InChIInChI=1S/C17H30N2O/c1-2-3-4-5-6-7-8-9-10-11-12-17(20)16-13-18-15-19-14-16/h13-15,17,20H,2-12H2,1H3
InChIKeyHXIXGZMTLJHZCA-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.82
Rot. Bonds12

About 1-pyrimidin-5-yltridecan-1-ol

1-pyrimidin-5-yltridecan-1-ol (PubChem CID 102924013) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-pyrimidin-5-yltridecan-1-ol.

Molecular Properties

Compound Name1-pyrimidin-5-yltridecan-1-ol
PubChem CID102924013
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-pyrimidin-5-yltridecan-1-ol
SMILESCCCCCCCCCCCCC(O)c1cncnc1
InChIInChI=1S/C17H30N2O/c1-2-3-4-5-6-7-8-9-10-11-12-17(20)16-13-18-15-19-14-16/h13-15,17,20H,2-12H2,1H3
InChIKeyHXIXGZMTLJHZCA-UHFFFAOYSA-N
XLogP4.82
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pyrimidin-5-ylheptan-1-ol
CID 63901616
1-pyrimidin-5-ylhexan-1-ol
CID 15889672
6-methyl-1-pyrimidin-5-ylheptan-1-ol
CID 174530824
(1S)-1-pyrimidin-5-ylpropan-1-ol
CID 15812275
1-pyridin-4-yltridecan-1-ol
CID 63410309
3-pyrimidin-5-ylnonanoic acid
CID 151003204
1-(1-ethylpyrazol-4-yl)dodecan-1-ol
CID 115778864
1-pyridazin-4-ylnonan-1-ol
CID 105085715
(1R)-1-phenyloctan-1-ol
CID 12794259
4-methyl-1-pyrimidin-5-ylpent-4-en-1-ol
CID 102924122
4-(1-hydroxytridecyl)phenol
CID 57120972
1-(5-trimethylsilylfuran-3-yl)undecan-1-ol
CID 19885896

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-5-yltridecan-1-ol?
The IUPAC name of 1-pyrimidin-5-yltridecan-1-ol (CID 102924013) is 1-pyrimidin-5-yltridecan-1-ol.
What is the SMILES notation for 1-pyrimidin-5-yltridecan-1-ol?
The canonical SMILES for 1-pyrimidin-5-yltridecan-1-ol is CCCCCCCCCCCCC(O)c1cncnc1.
What is the InChIKey of 1-pyrimidin-5-yltridecan-1-ol?
The InChIKey is HXIXGZMTLJHZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-2-3-4-5-6-7-8-9-10-11-12-17(20)16-13-18-15-19-14-16/h13-15,17,20H,2-12H2,1H3.
What are the key properties of 1-pyrimidin-5-yltridecan-1-ol?
1-pyrimidin-5-yltridecan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 4.82, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-5-yltridecan-1-ol is sourced from PubChem (CID 102924013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).