5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine

C12H19ClN4O — CID 107396385

IUPAC5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(N2CCCC(C)(OC)C2)n1
InChIInChI=1S/C12H19ClN4O/c1-12(18-3)5-4-6-17(8-12)10-9(13)7-15-11(14-2)16-10/h7H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyXWDHJNMSRJUGJZ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.18
Rot. Bonds3

About 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine

5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine (PubChem CID 107396385) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine
PubChem CID107396385
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(N2CCCC(C)(OC)C2)n1
InChIInChI=1S/C12H19ClN4O/c1-12(18-3)5-4-6-17(8-12)10-9(13)7-15-11(14-2)16-10/h7H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyXWDHJNMSRJUGJZ-UHFFFAOYSA-N
XLogP2.18
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine (CID 107396385) is 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine is CNc1ncc(Cl)c(N2CCCC(C)(OC)C2)n1.
What is the InChIKey of 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine?
The InChIKey is XWDHJNMSRJUGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-12(18-3)5-4-6-17(8-12)10-9(13)7-15-11(14-2)16-10/h7H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine?
5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine has a molecular weight of 270.76 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 107396385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).