3-(2-ethylhexyl)-2-methyl-2,6-dihydro-1H-pyrimidine

C13H26N2 — CID 21486750

IUPAC3-(2-ethylhexyl)-2-methyl-2,6-dihydro-1H-pyrimidine
SMILESCCCCC(CC)CN1C=CCNC1C
InChIInChI=1S/C13H26N2/c1-4-6-8-13(5-2)11-15-10-7-9-14-12(15)3/h7,10,12-14H,4-6,8-9,11H2,1-3H3
InChIKeyNXCPHLNOJJIYAV-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.97
Rot. Bonds6

About 3-(2-ethylhexyl)-2-methyl-2,6-dihydro-1H-pyrimidine

3-(2-ethylhexyl)-2-methyl-2,6-dihydro-1H-pyrimidine (PubChem CID 21486750) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-(2-ethylhexyl)-2-methyl-2,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name3-(2-ethylhexyl)-2-methyl-2,6-dihydro-1H-pyrimidine
PubChem CID21486750
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-(2-ethylhexyl)-2-methyl-2,6-dihydro-1H-pyrimidine
SMILESCCCCC(CC)CN1C=CCNC1C
InChIInChI=1S/C13H26N2/c1-4-6-8-13(5-2)11-15-10-7-9-14-12(15)3/h7,10,12-14H,4-6,8-9,11H2,1-3H3
InChIKeyNXCPHLNOJJIYAV-UHFFFAOYSA-N
XLogP2.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexyl)-2-methyl-2,6-dihydro-1H-pyrimidine?
The IUPAC name of 3-(2-ethylhexyl)-2-methyl-2,6-dihydro-1H-pyrimidine (CID 21486750) is 3-(2-ethylhexyl)-2-methyl-2,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 3-(2-ethylhexyl)-2-methyl-2,6-dihydro-1H-pyrimidine?
The canonical SMILES for 3-(2-ethylhexyl)-2-methyl-2,6-dihydro-1H-pyrimidine is CCCCC(CC)CN1C=CCNC1C.
What is the InChIKey of 3-(2-ethylhexyl)-2-methyl-2,6-dihydro-1H-pyrimidine?
The InChIKey is NXCPHLNOJJIYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-6-8-13(5-2)11-15-10-7-9-14-12(15)3/h7,10,12-14H,4-6,8-9,11H2,1-3H3.
What are the key properties of 3-(2-ethylhexyl)-2-methyl-2,6-dihydro-1H-pyrimidine?
3-(2-ethylhexyl)-2-methyl-2,6-dihydro-1H-pyrimidine has a molecular weight of 210.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexyl)-2-methyl-2,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 21486750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).