4-(4-chlorophenoxy)-5-(4-methylpiperidin-1-yl)pyrimidin-2-amine

C16H19ClN4O — CID 139898375

IUPAC4-(4-chlorophenoxy)-5-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCN(c2cnc(N)nc2Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H19ClN4O/c1-11-6-8-21(9-7-11)14-10-19-16(18)20-15(14)22-13-4-2-12(17)3-5-13/h2-5,10-11H,6-9H2,1H3,(H2,18,19,20)
InChIKeyXQXIICXAKQPVJT-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.74
Rot. Bonds3

About 4-(4-chlorophenoxy)-5-(4-methylpiperidin-1-yl)pyrimidin-2-amine

4-(4-chlorophenoxy)-5-(4-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 139898375) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-5-(4-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-5-(4-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID139898375
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name4-(4-chlorophenoxy)-5-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCN(c2cnc(N)nc2Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H19ClN4O/c1-11-6-8-21(9-7-11)14-10-19-16(18)20-15(14)22-13-4-2-12(17)3-5-13/h2-5,10-11H,6-9H2,1H3,(H2,18,19,20)
InChIKeyXQXIICXAKQPVJT-UHFFFAOYSA-N
XLogP3.74
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-5-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenoxy)-5-(4-methylpiperidin-1-yl)pyrimidin-2-amine (CID 139898375) is 4-(4-chlorophenoxy)-5-(4-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenoxy)-5-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenoxy)-5-(4-methylpiperidin-1-yl)pyrimidin-2-amine is CC1CCN(c2cnc(N)nc2Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenoxy)-5-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is XQXIICXAKQPVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-11-6-8-21(9-7-11)14-10-19-16(18)20-15(14)22-13-4-2-12(17)3-5-13/h2-5,10-11H,6-9H2,1H3,(H2,18,19,20).
What are the key properties of 4-(4-chlorophenoxy)-5-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
4-(4-chlorophenoxy)-5-(4-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 318.81 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-5-(4-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 139898375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).