4-tert-butyl-6-methoxy-2-(piperidin-2-ylmethyl)pyrimidine

C15H25N3O — CID 82666688

IUPAC4-tert-butyl-6-methoxy-2-(piperidin-2-ylmethyl)pyrimidine
SMILESCOc1cc(C(C)(C)C)nc(CC2CCCCN2)n1
InChIInChI=1S/C15H25N3O/c1-15(2,3)12-10-14(19-4)18-13(17-12)9-11-7-5-6-8-16-11/h10-11,16H,5-9H2,1-4H3
InChIKeyQWGGZWFUXBVIAF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.47
Rot. Bonds3

About 4-tert-butyl-6-methoxy-2-(piperidin-2-ylmethyl)pyrimidine

4-tert-butyl-6-methoxy-2-(piperidin-2-ylmethyl)pyrimidine (PubChem CID 82666688) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-tert-butyl-6-methoxy-2-(piperidin-2-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-methoxy-2-(piperidin-2-ylmethyl)pyrimidine
PubChem CID82666688
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-tert-butyl-6-methoxy-2-(piperidin-2-ylmethyl)pyrimidine
SMILESCOc1cc(C(C)(C)C)nc(CC2CCCCN2)n1
InChIInChI=1S/C15H25N3O/c1-15(2,3)12-10-14(19-4)18-13(17-12)9-11-7-5-6-8-16-11/h10-11,16H,5-9H2,1-4H3
InChIKeyQWGGZWFUXBVIAF-UHFFFAOYSA-N
XLogP2.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine
CID 82665682
5-methoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 117231656
4-methyl-2-(piperidin-2-ylmethyl)-6-propan-2-ylpyrimidine
CID 116893518
4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine
CID 115355534
2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole
CID 117431689
5-methoxy-2-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117132123
N-cyclopropyl-4-methoxy-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106640968
4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine
CID 116893520
5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 117231619
3-(6-methoxypyridazin-3-yl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 103372840
6-methoxy-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973053
5-tert-butyl-3-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117377108

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-methoxy-2-(piperidin-2-ylmethyl)pyrimidine?
The IUPAC name of 4-tert-butyl-6-methoxy-2-(piperidin-2-ylmethyl)pyrimidine (CID 82666688) is 4-tert-butyl-6-methoxy-2-(piperidin-2-ylmethyl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-6-methoxy-2-(piperidin-2-ylmethyl)pyrimidine?
The canonical SMILES for 4-tert-butyl-6-methoxy-2-(piperidin-2-ylmethyl)pyrimidine is COc1cc(C(C)(C)C)nc(CC2CCCCN2)n1.
What is the InChIKey of 4-tert-butyl-6-methoxy-2-(piperidin-2-ylmethyl)pyrimidine?
The InChIKey is QWGGZWFUXBVIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)12-10-14(19-4)18-13(17-12)9-11-7-5-6-8-16-11/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 4-tert-butyl-6-methoxy-2-(piperidin-2-ylmethyl)pyrimidine?
4-tert-butyl-6-methoxy-2-(piperidin-2-ylmethyl)pyrimidine has a molecular weight of 263.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-methoxy-2-(piperidin-2-ylmethyl)pyrimidine is sourced from PubChem (CID 82666688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).