4-(3-methylbutyl)-2,6-bis(2-methylpropoxy)pyrimidine

C17H30N2O2 — CID 25128805

IUPAC4-(3-methylbutyl)-2,6-bis(2-methylpropoxy)pyrimidine
SMILESCC(C)CCc1cc(OCC(C)C)nc(OCC(C)C)n1
InChIInChI=1S/C17H30N2O2/c1-12(2)7-8-15-9-16(20-10-13(3)4)19-17(18-15)21-11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3
InChIKeyJRRYFXZBVRBKOV-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.13
Rot. Bonds9

About 4-(3-methylbutyl)-2,6-bis(2-methylpropoxy)pyrimidine

4-(3-methylbutyl)-2,6-bis(2-methylpropoxy)pyrimidine (PubChem CID 25128805) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-(3-methylbutyl)-2,6-bis(2-methylpropoxy)pyrimidine.

Molecular Properties

Compound Name4-(3-methylbutyl)-2,6-bis(2-methylpropoxy)pyrimidine
PubChem CID25128805
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name4-(3-methylbutyl)-2,6-bis(2-methylpropoxy)pyrimidine
SMILESCC(C)CCc1cc(OCC(C)C)nc(OCC(C)C)n1
InChIInChI=1S/C17H30N2O2/c1-12(2)7-8-15-9-16(20-10-13(3)4)19-17(18-15)21-11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3
InChIKeyJRRYFXZBVRBKOV-UHFFFAOYSA-N
XLogP4.13
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Tert-butyl-6-[2-(dimethylamino)ethoxy]pyrimidin-2-amine
CID 25130579
4-Methoxy-6-[(2-methyltetrahydrofuran-2-yl)methyl]-2-propoxy-pyrimidine
CID 492060
2,4-Diisobutoxy-6-styryl-pyrimidine
CID 25132935
2,4-Diisobutoxy-6-phenethyl-pyrimidine
CID 25132937
2,4-Bis-benzyloxy-6-(3-methyl-butyl)-pyrimidine
CID 25132938
4-(Fluoromethoxy)-6-propan-2-ylpyrimidine
CID 177852945
4-Ethoxy-6-ethylpyrimidin-2-amine
CID 119085413
4-Ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 57013685
4-Tert-butyl-6-(2,2-difluoroethoxy)pyrimidine
CID 58088188
4-Tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 58088266
6-[(6-But-2-ynoxypyrimidin-4-yl)methyl]-1-fluorocyclohexa-2,4-diene-1-carbonitrile
CID 69941021
4-(2,2-Difluoroethoxy)-6-ethylpyrimidine
CID 89084421

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-2,6-bis(2-methylpropoxy)pyrimidine?
The IUPAC name of 4-(3-methylbutyl)-2,6-bis(2-methylpropoxy)pyrimidine (CID 25128805) is 4-(3-methylbutyl)-2,6-bis(2-methylpropoxy)pyrimidine.
What is the SMILES notation for 4-(3-methylbutyl)-2,6-bis(2-methylpropoxy)pyrimidine?
The canonical SMILES for 4-(3-methylbutyl)-2,6-bis(2-methylpropoxy)pyrimidine is CC(C)CCc1cc(OCC(C)C)nc(OCC(C)C)n1.
What is the InChIKey of 4-(3-methylbutyl)-2,6-bis(2-methylpropoxy)pyrimidine?
The InChIKey is JRRYFXZBVRBKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-12(2)7-8-15-9-16(20-10-13(3)4)19-17(18-15)21-11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3.
What are the key properties of 4-(3-methylbutyl)-2,6-bis(2-methylpropoxy)pyrimidine?
4-(3-methylbutyl)-2,6-bis(2-methylpropoxy)pyrimidine has a molecular weight of 294.44 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-2,6-bis(2-methylpropoxy)pyrimidine is sourced from PubChem (CID 25128805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).