3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one

C19H30N6O — CID 126891599

IUPAC3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one
SMILESCN(C)c1cc(N(C2CC2)C2CCN(C3CCCNC3=O)CC2)ncn1
InChIInChI=1S/C19H30N6O/c1-23(2)17-12-18(22-13-21-17)25(14-5-6-14)15-7-10-24(11-8-15)16-4-3-9-20-19(16)26/h12-16H,3-11H2,1-2H3,(H,20,26)
InChIKeyPWUHSRDRZUJICJ-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.25
Rot. Bonds5

About 3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one

3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one (PubChem CID 126891599) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one
PubChem CID126891599
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one
SMILESCN(C)c1cc(N(C2CC2)C2CCN(C3CCCNC3=O)CC2)ncn1
InChIInChI=1S/C19H30N6O/c1-23(2)17-12-18(22-13-21-17)25(14-5-6-14)15-7-10-24(11-8-15)16-4-3-9-20-19(16)26/h12-16H,3-11H2,1-2H3,(H,20,26)
InChIKeyPWUHSRDRZUJICJ-UHFFFAOYSA-N
XLogP1.25
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one?
The IUPAC name of 3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one (CID 126891599) is 3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one.
What is the SMILES notation for 3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one?
The canonical SMILES for 3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one is CN(C)c1cc(N(C2CC2)C2CCN(C3CCCNC3=O)CC2)ncn1.
What is the InChIKey of 3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one?
The InChIKey is PWUHSRDRZUJICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-23(2)17-12-18(22-13-21-17)25(14-5-6-14)15-7-10-24(11-8-15)16-4-3-9-20-19(16)26/h12-16H,3-11H2,1-2H3,(H,20,26).
What are the key properties of 3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one?
3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one has a molecular weight of 358.49 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one is sourced from PubChem (CID 126891599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).