2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine

C15H22N2O2 — CID 82246354

IUPAC2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
SMILESCCC(C)Oc1c(OC)cccc1C1=NCCCN1
InChIInChI=1S/C15H22N2O2/c1-4-11(2)19-14-12(7-5-8-13(14)18-3)15-16-9-6-10-17-15/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,16,17)
InChIKeyBLOXLBBMVNBWMM-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.61
Rot. Bonds5

About 2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine

2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 82246354) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID82246354
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
SMILESCCC(C)Oc1c(OC)cccc1C1=NCCCN1
InChIInChI=1S/C15H22N2O2/c1-4-11(2)19-14-12(7-5-8-13(14)18-3)15-16-9-6-10-17-15/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,16,17)
InChIKeyBLOXLBBMVNBWMM-UHFFFAOYSA-N
XLogP2.61
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2,6-dimethoxyphenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252949
2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82240364
N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide
CID 82240097
N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 82249227
2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
CID 82252922
2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82247905
2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82241523
2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole
CID 168554553
(2-butan-2-yloxy-3-methoxyphenyl)methanamine
CID 43471450
2-[2-[(2-methoxynaphthalen-1-yl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744940
(5-bromo-2-methoxyphenyl)-[2-chloro-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methanethiol
CID 22744812
2-[2-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82242953

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine (CID 82246354) is 2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine is CCC(C)Oc1c(OC)cccc1C1=NCCCN1.
What is the InChIKey of 2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is BLOXLBBMVNBWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-11(2)19-14-12(7-5-8-13(14)18-3)15-16-9-6-10-17-15/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine?
2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 262.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82246354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).