4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine;hydrochloride

C16H27ClN4 — CID 118741946

IUPAC4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine;hydrochloride
SMILESCC1CCN(c2cc(CCC3CCCN3)ncn2)CC1.Cl
InChIInChI=1S/C16H26N4.ClH/c1-13-6-9-20(10-7-13)16-11-15(18-12-19-16)5-4-14-3-2-8-17-14;/h11-14,17H,2-10H2,1H3;1H
InChIKeyUIFWZDVLTNXWTO-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.82
Rot. Bonds4

About 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine;hydrochloride

4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine;hydrochloride (PubChem CID 118741946) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine;hydrochloride
PubChem CID118741946
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC Name4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine;hydrochloride
SMILESCC1CCN(c2cc(CCC3CCCN3)ncn2)CC1.Cl
InChIInChI=1S/C16H26N4.ClH/c1-13-6-9-20(10-7-13)16-11-15(18-12-19-16)5-4-14-3-2-8-17-14;/h11-14,17H,2-10H2,1H3;1H
InChIKeyUIFWZDVLTNXWTO-UHFFFAOYSA-N
XLogP2.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine;hydrochloride?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine;hydrochloride (CID 118741946) is 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine;hydrochloride.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine;hydrochloride?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine;hydrochloride is CC1CCN(c2cc(CCC3CCCN3)ncn2)CC1.Cl.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine;hydrochloride?
The InChIKey is UIFWZDVLTNXWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4.ClH/c1-13-6-9-20(10-7-13)16-11-15(18-12-19-16)5-4-14-3-2-8-17-14;/h11-14,17H,2-10H2,1H3;1H.
What are the key properties of 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine;hydrochloride?
4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine;hydrochloride is sourced from PubChem (CID 118741946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).