1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide

C21H37N7O2 — CID 44586348

IUPAC1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C1CCN(c2cc(N3CCOCC3)nc(N)n2)CC1
InChIInChI=1S/C21H37N7O2/c1-21(2,15-26(3)4)14-23-19(29)16-5-7-27(8-6-16)17-13-18(25-20(22)24-17)28-9-11-30-12-10-28/h13,16H,5-12,14-15H2,1-4H3,(H,23,29)(H2,22,24,25)
InChIKeyPPGQESGAGOHHCL-UHFFFAOYSA-N
MW419.57 g/mol
LogP0.82
Rot. Bonds7

About 1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide

1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide (PubChem CID 44586348) has the molecular formula C21H37N7O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
PubChem CID44586348
Molecular FormulaC21H37N7O2
Molecular Weight419.57 g/mol
Exact Mass419.30
IUPAC Name1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C1CCN(c2cc(N3CCOCC3)nc(N)n2)CC1
InChIInChI=1S/C21H37N7O2/c1-21(2,15-26(3)4)14-23-19(29)16-5-7-27(8-6-16)17-13-18(25-20(22)24-17)28-9-11-30-12-10-28/h13,16H,5-12,14-15H2,1-4H3,(H,23,29)(H2,22,24,25)
InChIKeyPPGQESGAGOHHCL-UHFFFAOYSA-N
XLogP0.82
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide (CID 44586348) is 1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide is CN(C)CC(C)(C)CNC(=O)C1CCN(c2cc(N3CCOCC3)nc(N)n2)CC1.
What is the InChIKey of 1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The InChIKey is PPGQESGAGOHHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N7O2/c1-21(2,15-26(3)4)14-23-19(29)16-5-7-27(8-6-16)17-13-18(25-20(22)24-17)28-9-11-30-12-10-28/h13,16H,5-12,14-15H2,1-4H3,(H,23,29)(H2,22,24,25).
What are the key properties of 1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 44586348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).