6-chloro-N-(1-ethylpiperidin-4-yl)-5-propan-2-ylpyrimidin-4-amine

C14H23ClN4 — CID 106193688

IUPAC6-chloro-N-(1-ethylpiperidin-4-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCCN1CCC(Nc2ncnc(Cl)c2C(C)C)CC1
InChIInChI=1S/C14H23ClN4/c1-4-19-7-5-11(6-8-19)18-14-12(10(2)3)13(15)16-9-17-14/h9-11H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyNSOIUZFSUOIAFN-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.15
Rot. Bonds4

About 6-chloro-N-(1-ethylpiperidin-4-yl)-5-propan-2-ylpyrimidin-4-amine

6-chloro-N-(1-ethylpiperidin-4-yl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 106193688) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 6-chloro-N-(1-ethylpiperidin-4-yl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1-ethylpiperidin-4-yl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID106193688
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name6-chloro-N-(1-ethylpiperidin-4-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCCN1CCC(Nc2ncnc(Cl)c2C(C)C)CC1
InChIInChI=1S/C14H23ClN4/c1-4-19-7-5-11(6-8-19)18-14-12(10(2)3)13(15)16-9-17-14/h9-11H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyNSOIUZFSUOIAFN-UHFFFAOYSA-N
XLogP3.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-ethylpiperidin-4-yl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1-ethylpiperidin-4-yl)-5-propan-2-ylpyrimidin-4-amine (CID 106193688) is 6-chloro-N-(1-ethylpiperidin-4-yl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1-ethylpiperidin-4-yl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1-ethylpiperidin-4-yl)-5-propan-2-ylpyrimidin-4-amine is CCN1CCC(Nc2ncnc(Cl)c2C(C)C)CC1.
What is the InChIKey of 6-chloro-N-(1-ethylpiperidin-4-yl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is NSOIUZFSUOIAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-4-19-7-5-11(6-8-19)18-14-12(10(2)3)13(15)16-9-17-14/h9-11H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(1-ethylpiperidin-4-yl)-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(1-ethylpiperidin-4-yl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 282.82 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-ethylpiperidin-4-yl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106193688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).