4-(2,2-dimethylpropyl)-6-methoxypyrimidine

C10H16N2O — CID 167358390

IUPAC4-(2,2-dimethylpropyl)-6-methoxypyrimidine
SMILESCOc1cc(CC(C)(C)C)ncn1
InChIInChI=1S/C10H16N2O/c1-10(2,3)6-8-5-9(13-4)12-7-11-8/h5,7H,6H2,1-4H3
InChIKeyXXCKYZRWBGWIBI-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.07
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-6-methoxypyrimidine

4-(2,2-dimethylpropyl)-6-methoxypyrimidine (PubChem CID 167358390) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-6-methoxypyrimidine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-6-methoxypyrimidine
PubChem CID167358390
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-(2,2-dimethylpropyl)-6-methoxypyrimidine
SMILESCOc1cc(CC(C)(C)C)ncn1
InChIInChI=1S/C10H16N2O/c1-10(2,3)6-8-5-9(13-4)12-7-11-8/h5,7H,6H2,1-4H3
InChIKeyXXCKYZRWBGWIBI-UHFFFAOYSA-N
XLogP2.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylpropyl)-6-methylpyrimidine
CID 67153927
4-methoxy-6-(2-methylpropyl)pyrimidine
CID 146431371
4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine
CID 66320386
[4-(6-methoxypyrimidin-4-yl)-2-methylbutan-2-yl]carbamic acid
CID 175043657
4-(2-bromo-3-methoxypropyl)-6-methoxypyrimidine
CID 66320835
4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 174159201
1-(6-methoxypyrimidin-4-yl)-3-methylsulfonylbutan-2-ol
CID 104522940
1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one
CID 126848340
1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine
CID 115303807
O-(6-methoxypyrimidin-4-yl)hydroxylamine
CID 79421362
1-(3-iodophenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine
CID 113397478
N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine
CID 115366138

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-6-methoxypyrimidine?
The IUPAC name of 4-(2,2-dimethylpropyl)-6-methoxypyrimidine (CID 167358390) is 4-(2,2-dimethylpropyl)-6-methoxypyrimidine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-6-methoxypyrimidine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-6-methoxypyrimidine is COc1cc(CC(C)(C)C)ncn1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-6-methoxypyrimidine?
The InChIKey is XXCKYZRWBGWIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(2,3)6-8-5-9(13-4)12-7-11-8/h5,7H,6H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-6-methoxypyrimidine?
4-(2,2-dimethylpropyl)-6-methoxypyrimidine has a molecular weight of 180.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-6-methoxypyrimidine is sourced from PubChem (CID 167358390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).