4-(3,5-dimethylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine

C18H24N4O — CID 22540701

IUPAC4-(3,5-dimethylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine
SMILESCc1cc(C)cc(Oc2ncnc(N3CCCC(C)C3)c2N)c1
InChIInChI=1S/C18H24N4O/c1-12-5-4-6-22(10-12)17-16(19)18(21-11-20-17)23-15-8-13(2)7-14(3)9-15/h7-9,11-12H,4-6,10,19H2,1-3H3
InChIKeyRSROBGFHTRNJST-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.70
Rot. Bonds3

About 4-(3,5-dimethylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine

4-(3,5-dimethylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine (PubChem CID 22540701) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine
PubChem CID22540701
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-(3,5-dimethylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine
SMILESCc1cc(C)cc(Oc2ncnc(N3CCCC(C)C3)c2N)c1
InChIInChI=1S/C18H24N4O/c1-12-5-4-6-22(10-12)17-16(19)18(21-11-20-17)23-15-8-13(2)7-14(3)9-15/h7-9,11-12H,4-6,10,19H2,1-3H3
InChIKeyRSROBGFHTRNJST-UHFFFAOYSA-N
XLogP3.70
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(3,5-dimethylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine (CID 22540701) is 4-(3,5-dimethylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine is Cc1cc(C)cc(Oc2ncnc(N3CCCC(C)C3)c2N)c1.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine?
The InChIKey is RSROBGFHTRNJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12-5-4-6-22(10-12)17-16(19)18(21-11-20-17)23-15-8-13(2)7-14(3)9-15/h7-9,11-12H,4-6,10,19H2,1-3H3.
What are the key properties of 4-(3,5-dimethylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine?
4-(3,5-dimethylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine has a molecular weight of 312.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 22540701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).