2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine

C14H16ClN3O — CID 80949430

IUPAC2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine
SMILESCc1ncccc1Oc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C14H16ClN3O/c1-9-10(6-5-7-16-9)19-12-8-11(15)17-13(18-12)14(2,3)4/h5-8H,1-4H3
InChIKeyNPAXYBDQRLUXNC-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.92
Rot. Bonds2

About 2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine

2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine (PubChem CID 80949430) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine
PubChem CID80949430
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine
SMILESCc1ncccc1Oc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C14H16ClN3O/c1-9-10(6-5-7-16-9)19-12-8-11(15)17-13(18-12)14(2,3)4/h5-8H,1-4H3
InChIKeyNPAXYBDQRLUXNC-UHFFFAOYSA-N
XLogP3.92
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine
CID 80948165
2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine
CID 102981534
2-tert-butyl-4-chloro-6-(2-nitrophenoxy)pyrimidine
CID 80943264
2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine
CID 80949039
4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine
CID 80948172
2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169197
4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine
CID 133282270
4-[(2-bromo-3-pyridinyl)oxy]-2-tert-butyl-6-(methoxymethyl)pyrimidine
CID 133404874
2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine
CID 80949300
N,2-diethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80937644
4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 80877500
3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine
CID 114847144

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine (CID 80949430) is 2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine is Cc1ncccc1Oc1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine?
The InChIKey is NPAXYBDQRLUXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-10(6-5-7-16-9)19-12-8-11(15)17-13(18-12)14(2,3)4/h5-8H,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine?
2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine has a molecular weight of 277.75 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine is sourced from PubChem (CID 80949430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).