6-[3-(dimethylamino)piperidin-1-yl]-N-(oxan-3-yl)pyrimidin-4-amine

C16H27N5O — CID 128997014

IUPAC6-[3-(dimethylamino)piperidin-1-yl]-N-(oxan-3-yl)pyrimidin-4-amine
SMILESCN(C)C1CCCN(c2cc(NC3CCCOC3)ncn2)C1
InChIInChI=1S/C16H27N5O/c1-20(2)14-6-3-7-21(10-14)16-9-15(17-12-18-16)19-13-5-4-8-22-11-13/h9,12-14H,3-8,10-11H2,1-2H3,(H,17,18,19)
InChIKeyAMVDCEHZCDCEIH-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.60
Rot. Bonds4

About 6-[3-(dimethylamino)piperidin-1-yl]-N-(oxan-3-yl)pyrimidin-4-amine

6-[3-(dimethylamino)piperidin-1-yl]-N-(oxan-3-yl)pyrimidin-4-amine (PubChem CID 128997014) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 6-[3-(dimethylamino)piperidin-1-yl]-N-(oxan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)piperidin-1-yl]-N-(oxan-3-yl)pyrimidin-4-amine
PubChem CID128997014
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name6-[3-(dimethylamino)piperidin-1-yl]-N-(oxan-3-yl)pyrimidin-4-amine
SMILESCN(C)C1CCCN(c2cc(NC3CCCOC3)ncn2)C1
InChIInChI=1S/C16H27N5O/c1-20(2)14-6-3-7-21(10-14)16-9-15(17-12-18-16)19-13-5-4-8-22-11-13/h9,12-14H,3-8,10-11H2,1-2H3,(H,17,18,19)
InChIKeyAMVDCEHZCDCEIH-UHFFFAOYSA-N
XLogP1.60
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)piperidin-1-yl]-N-(oxan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-[3-(dimethylamino)piperidin-1-yl]-N-(oxan-3-yl)pyrimidin-4-amine (CID 128997014) is 6-[3-(dimethylamino)piperidin-1-yl]-N-(oxan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-[3-(dimethylamino)piperidin-1-yl]-N-(oxan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-[3-(dimethylamino)piperidin-1-yl]-N-(oxan-3-yl)pyrimidin-4-amine is CN(C)C1CCCN(c2cc(NC3CCCOC3)ncn2)C1.
What is the InChIKey of 6-[3-(dimethylamino)piperidin-1-yl]-N-(oxan-3-yl)pyrimidin-4-amine?
The InChIKey is AMVDCEHZCDCEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-20(2)14-6-3-7-21(10-14)16-9-15(17-12-18-16)19-13-5-4-8-22-11-13/h9,12-14H,3-8,10-11H2,1-2H3,(H,17,18,19).
What are the key properties of 6-[3-(dimethylamino)piperidin-1-yl]-N-(oxan-3-yl)pyrimidin-4-amine?
6-[3-(dimethylamino)piperidin-1-yl]-N-(oxan-3-yl)pyrimidin-4-amine has a molecular weight of 305.43 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)piperidin-1-yl]-N-(oxan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 128997014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).