2-[4-[2-amino-6-(diethylamino)pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide

C17H31N7O — CID 50964709

IUPAC2-[4-[2-amino-6-(diethylamino)pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCCN(CC)c1cc(N2CCN(CC(=O)NC(C)C)CC2)nc(N)n1
InChIInChI=1S/C17H31N7O/c1-5-23(6-2)14-11-15(21-17(18)20-14)24-9-7-22(8-10-24)12-16(25)19-13(3)4/h11,13H,5-10,12H2,1-4H3,(H,19,25)(H2,18,20,21)
InChIKeyUAFWGJGMCFXNOI-UHFFFAOYSA-N
MW349.48 g/mol
LogP0.55
Rot. Bonds7

About 2-[4-[2-amino-6-(diethylamino)pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[2-amino-6-(diethylamino)pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 50964709) has the molecular formula C17H31N7O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[4-[2-amino-6-(diethylamino)pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-amino-6-(diethylamino)pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID50964709
Molecular FormulaC17H31N7O
Molecular Weight349.48 g/mol
Exact Mass349.26
IUPAC Name2-[4-[2-amino-6-(diethylamino)pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCCN(CC)c1cc(N2CCN(CC(=O)NC(C)C)CC2)nc(N)n1
InChIInChI=1S/C17H31N7O/c1-5-23(6-2)14-11-15(21-17(18)20-14)24-9-7-22(8-10-24)12-16(25)19-13(3)4/h11,13H,5-10,12H2,1-4H3,(H,19,25)(H2,18,20,21)
InChIKeyUAFWGJGMCFXNOI-UHFFFAOYSA-N
XLogP0.55
TPSA90.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-6-(diethylamino)pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[2-amino-6-(diethylamino)pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 50964709) is 2-[4-[2-amino-6-(diethylamino)pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[2-amino-6-(diethylamino)pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[2-amino-6-(diethylamino)pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide is CCN(CC)c1cc(N2CCN(CC(=O)NC(C)C)CC2)nc(N)n1.
What is the InChIKey of 2-[4-[2-amino-6-(diethylamino)pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is UAFWGJGMCFXNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7O/c1-5-23(6-2)14-11-15(21-17(18)20-14)24-9-7-22(8-10-24)12-16(25)19-13(3)4/h11,13H,5-10,12H2,1-4H3,(H,19,25)(H2,18,20,21).
What are the key properties of 2-[4-[2-amino-6-(diethylamino)pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[2-amino-6-(diethylamino)pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 349.48 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-6-(diethylamino)pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 50964709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).