4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine

C15H25N3O — CID 82666679

IUPAC4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine
SMILESCOc1cc(CC(C)C)nc(CC2CCCNC2)n1
InChIInChI=1S/C15H25N3O/c1-11(2)7-13-9-15(19-3)18-14(17-13)8-12-5-4-6-16-10-12/h9,11-12,16H,4-8,10H2,1-3H3
InChIKeyVCUVNGZTIBQHTP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.23
Rot. Bonds5

About 4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine

4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine (PubChem CID 82666679) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine
PubChem CID82666679
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine
SMILESCOc1cc(CC(C)C)nc(CC2CCCNC2)n1
InChIInChI=1S/C15H25N3O/c1-11(2)7-13-9-15(19-3)18-14(17-13)8-12-5-4-6-16-10-12/h9,11-12,16H,4-8,10H2,1-3H3
InChIKeyVCUVNGZTIBQHTP-UHFFFAOYSA-N
XLogP2.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine
CID 84687878
4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine
CID 116893542
4-methoxy-2-methyl-6-(piperidin-3-ylmethyl)pyridine
CID 104680585
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine
CID 105474903
6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
CID 155136389
3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane
CID 104680701
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
4-[(4,6-dimethylpyrimidin-2-yl)methyl]azepane
CID 84685067
4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 112634897
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
CID 117451785

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine?
The IUPAC name of 4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine (CID 82666679) is 4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine.
What is the SMILES notation for 4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine?
The canonical SMILES for 4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine is COc1cc(CC(C)C)nc(CC2CCCNC2)n1.
What is the InChIKey of 4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine?
The InChIKey is VCUVNGZTIBQHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)7-13-9-15(19-3)18-14(17-13)8-12-5-4-6-16-10-12/h9,11-12,16H,4-8,10H2,1-3H3.
What are the key properties of 4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine?
4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine has a molecular weight of 263.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine is sourced from PubChem (CID 82666679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).