5-chloro-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine

C12H19ClN2O2 — CID 156599456

IUPAC5-chloro-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ncc(Cl)c(OC(C)(C)C)n1
InChIInChI=1S/C12H19ClN2O2/c1-11(2,3)16-9-8(13)7-14-10(15-9)17-12(4,5)6/h7H,1-6H3
InChIKeyIDLQMEJRYSJZSL-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.48
Rot. Bonds2

About 5-chloro-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine

5-chloro-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine (PubChem CID 156599456) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-chloro-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine.

Molecular Properties

Compound Name5-chloro-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
PubChem CID156599456
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name5-chloro-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ncc(Cl)c(OC(C)(C)C)n1
InChIInChI=1S/C12H19ClN2O2/c1-11(2,3)16-9-8(13)7-14-10(15-9)17-12(4,5)6/h7H,1-6H3
InChIKeyIDLQMEJRYSJZSL-UHFFFAOYSA-N
XLogP3.48
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine
CID 818851
3-(2-Amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol
CID 122536457
2,5-Dichloro-4-methoxypyrimidine
CID 49761746
Pyrimidine, 2,4-bis(1,1-dimethylethoxy)-
CID 901709
2-Chloro-4-ethoxy-5-methylpyrimidine
CID 14874945
2,4-Di-tert-butoxy-5-fluoropyrimidine
CID 13061615
(2,4-Di-tert-butoxypyrimidin-5-yl)boronic acid
CID 2735950
5-Chloro-2,4-dimethoxypyrimidine
CID 14270028
5-chloro-4-methoxy-2-Pyrimidinamine
CID 79006435
2,4-Di(n-butoxy)-5-fluoropyrimidine
CID 13061613
5-Chloro-4-fluoro-6-(2-methylpent-3-yn-2-yloxy)pyrimidine
CID 66674660

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The IUPAC name of 5-chloro-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine (CID 156599456) is 5-chloro-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine.
What is the SMILES notation for 5-chloro-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The canonical SMILES for 5-chloro-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine is CC(C)(C)Oc1ncc(Cl)c(OC(C)(C)C)n1.
What is the InChIKey of 5-chloro-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The InChIKey is IDLQMEJRYSJZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-11(2,3)16-9-8(13)7-14-10(15-9)17-12(4,5)6/h7H,1-6H3.
What are the key properties of 5-chloro-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
5-chloro-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine has a molecular weight of 258.75 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine is sourced from PubChem (CID 156599456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).