5-tert-butyl-2-(2-methoxyethoxy)pyrimidine

C11H18N2O2 — CID 170179546

IUPAC5-tert-butyl-2-(2-methoxyethoxy)pyrimidine
SMILESCOCCOc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)9-7-12-10(13-8-9)15-6-5-14-4/h7-8H,5-6H2,1-4H3
InChIKeyFSDQAGVZABTITD-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.80
Rot. Bonds4

About 5-tert-butyl-2-(2-methoxyethoxy)pyrimidine

5-tert-butyl-2-(2-methoxyethoxy)pyrimidine (PubChem CID 170179546) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-methoxyethoxy)pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-2-(2-methoxyethoxy)pyrimidine
PubChem CID170179546
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-tert-butyl-2-(2-methoxyethoxy)pyrimidine
SMILESCOCCOc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)9-7-12-10(13-8-9)15-6-5-14-4/h7-8H,5-6H2,1-4H3
InChIKeyFSDQAGVZABTITD-UHFFFAOYSA-N
XLogP1.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)pyrimidine-5-carboxylic acid
CID 66570813
2-(2-methoxyethoxy)-1,3,5-triazine
CID 154184593
2-tert-butyl-5-(2-methoxyethoxy)pyrazine
CID 135302140
4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine
CID 176600654
3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine
CID 164620136
4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine
CID 165484905
5,11,17,23,29,35-hexatert-butyl-37,38,39,40,41,42-hexakis(2-methoxyethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene
CID 13496654
2-(2,3-dimethoxypropoxy)-5-(trifluoromethyl)pyrimidine
CID 166306081
2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde
CID 103178190
1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104567723
4-chloro-6-(1,1-difluoroethyl)-2-(2-methoxyethoxy)pyrimidine
CID 170577357
2-[4-(2-methoxyethoxy)phenyl]propan-2-amine
CID 95440689

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-methoxyethoxy)pyrimidine?
The IUPAC name of 5-tert-butyl-2-(2-methoxyethoxy)pyrimidine (CID 170179546) is 5-tert-butyl-2-(2-methoxyethoxy)pyrimidine.
What is the SMILES notation for 5-tert-butyl-2-(2-methoxyethoxy)pyrimidine?
The canonical SMILES for 5-tert-butyl-2-(2-methoxyethoxy)pyrimidine is COCCOc1ncc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-2-(2-methoxyethoxy)pyrimidine?
The InChIKey is FSDQAGVZABTITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,3)9-7-12-10(13-8-9)15-6-5-14-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 5-tert-butyl-2-(2-methoxyethoxy)pyrimidine?
5-tert-butyl-2-(2-methoxyethoxy)pyrimidine has a molecular weight of 210.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-methoxyethoxy)pyrimidine is sourced from PubChem (CID 170179546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).